Friday, July 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: propanedinitrile
CAS Name: propanedinitrile
IUPAC NAME: propanedinitrile
SYSTEMATIC NAME: propanedinitrile
MOLECULAR FORMULA: C3H2N2
MOLECULAR WEIGHT: 66.06138
SMILES: C(C#N)C#N
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Product OPENEYE NAME: 3-hydroxypropanenitrile
CAS Name: 3-hydroxypropanenitrile
IUPAC NAME: 3-hydroxypropanenitrile
SYSTEMATIC NAME: 3-oxidanylpropanenitrile
MOLECULAR FORMULA: C3H5NO
MOLECULAR WEIGHT: 71.0779
SMILES: C(CO)C#N
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Product OPENEYE NAME: butane-1-thiol
CAS Name: 1-butanethiol
IUPAC NAME: butane-1-thiol
SYSTEMATIC NAME: butane-1-thiol
MOLECULAR FORMULA: C4H10S
MOLECULAR WEIGHT: 90.1872
SMILES: CCCCS
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Product OPENEYE NAME: propane-1,3-dithiol
CAS Name: propane-1,3-dithiol
IUPAC NAME: propane-1,3-dithiol
SYSTEMATIC NAME: propane-1,3-dithiol
MOLECULAR FORMULA: C3H8S2
MOLECULAR WEIGHT: 108.22562
SMILES: C(CS)CS
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Product OPENEYE NAME: N'-methylethane-1,2-diamine
CAS Name: N'-methylethane-1,2-diamine
IUPAC NAME: N'-methylethane-1,2-diamine
SYSTEMATIC NAME: N'-methylethane-1,2-diamine
MOLECULAR FORMULA: C3H10N2
MOLECULAR WEIGHT: 74.1249
SMILES: CNCCN
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Product OPENEYE NAME: 2-(methyleneamino)acetonitrile
CAS Name: 2-(methyleneamino)acetonitrile
IUPAC NAME: 2-(methylideneamino)acetonitrile
SYSTEMATIC NAME: 2-(methylideneamino)ethanenitrile
MOLECULAR FORMULA: C3H4N2
MOLECULAR WEIGHT: 68.07726
SMILES: C=NCC#N
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Product OPENEYE NAME: 2-(methylamino)ethanol
CAS Name: 2-(methylamino)ethanol
IUPAC NAME: 2-(methylamino)ethanol
SYSTEMATIC NAME: 2-(methylamino)ethanol
MOLECULAR FORMULA: C3H9NO
MOLECULAR WEIGHT: 75.10966
SMILES: CNCCO
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Product OPENEYE NAME: 2-hydrazinoethanol
CAS Name: 2-hydrazinylethanol
IUPAC NAME: 2-hydrazinylethanol
SYSTEMATIC NAME: 2-diazanylethanol
MOLECULAR FORMULA: C2H8N2O
MOLECULAR WEIGHT: 76.09772
SMILES: C(CO)NN
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Product OPENEYE NAME: 2-methoxyethanamine
CAS Name: 2-methoxyethanamine
IUPAC NAME: 2-methoxyethanamine
SYSTEMATIC NAME: 2-methoxyethanamine
MOLECULAR FORMULA: C3H9NO
MOLECULAR WEIGHT: 75.10966
SMILES: COCCN
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Product OPENEYE NAME: 2-methoxyethanol
CAS Name: 2-methoxyethanol
IUPAC NAME: 2-methoxyethanol
SYSTEMATIC NAME: 2-methoxyethanol
MOLECULAR FORMULA: C3H8O2
MOLECULAR WEIGHT: 76.09442
SMILES: COCCO
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Product OPENEYE NAME: dimethoxymethane
CAS Name: dimethoxymethane
IUPAC NAME: dimethoxymethane
SYSTEMATIC NAME: dimethoxymethane
MOLECULAR FORMULA: C3H8O2
MOLECULAR WEIGHT: 76.09442
SMILES: COCOC
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Product OPENEYE NAME: N-ethylethanamine
CAS Name: N-ethylethanamine
IUPAC NAME: N-ethylethanamine
SYSTEMATIC NAME: N-ethylethanamine
MOLECULAR FORMULA: C4H11N
MOLECULAR WEIGHT: 73.13684
SMILES: CCNCC
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Product OPENEYE NAME: isocyanatoethane
CAS Name: isocyanatoethane
IUPAC NAME: isocyanatoethane
SYSTEMATIC NAME: isocyanatoethane
MOLECULAR FORMULA: C3H5NO
MOLECULAR WEIGHT: 71.0779
SMILES: CCN=C=O
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Product OPENEYE NAME: vinyloxyethane
CAS Name: ethenoxyethane
IUPAC NAME: ethenoxyethane
SYSTEMATIC NAME: ethenoxyethane
MOLECULAR FORMULA: C4H8O
MOLECULAR WEIGHT: 72.10572
SMILES: CCOC=C
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Product OPENEYE NAME: vinyloxyethylene
CAS Name: ethenoxyethene
IUPAC NAME: ethenoxyethene
SYSTEMATIC NAME: ethenoxyethene
MOLECULAR FORMULA: C4H6O
MOLECULAR WEIGHT: 70.08984
SMILES: C=COC=C
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Product OPENEYE NAME: ethyl formate
CAS Name: formic acid ethyl ester
IUPAC NAME: ethyl formate
SYSTEMATIC NAME: ethyl methanoate
MOLECULAR FORMULA: C3H6O2
MOLECULAR WEIGHT: 74.07854
SMILES: CCOC=O
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Product OPENEYE NAME: ethyl nitrite
CAS Name: nitrous acid ethyl ester
IUPAC NAME: ethyl nitrite
SYSTEMATIC NAME: ethyl nitrite
MOLECULAR FORMULA: C2H5NO2
MOLECULAR WEIGHT: 75.0666
SMILES: CCON=O
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Product OPENEYE NAME: pyrrole
CAS Name: 1H-pyrrole
IUPAC NAME: 1H-pyrrole
SYSTEMATIC NAME: 1H-pyrrole
MOLECULAR FORMULA: C4H5N
MOLECULAR WEIGHT: 67.0892
SMILES: C1=CNC=C1
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Product OPENEYE NAME: tetrahydrofuran
CAS Name: oxolane
IUPAC NAME: oxolane
SYSTEMATIC NAME: oxolane
MOLECULAR FORMULA: C4H8O
MOLECULAR WEIGHT: 72.10572
SMILES: C1CCOC1
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Product OPENEYE NAME: furan
CAS Name: furan
IUPAC NAME: furan
SYSTEMATIC NAME: furan
MOLECULAR FORMULA: C4H4O
MOLECULAR WEIGHT: 68.07396
SMILES: C1=COC=C1
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