Monday, August 8, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 3-bromopyridine
CAS Name: 3-bromopyridine
IUPAC NAME: 3-bromopyridine
SYSTEMATIC NAME: 3-bromanylpyridine
MOLECULAR FORMULA: C5H4BrN
MOLECULAR WEIGHT: 157.99596
SMILES: C1=CC(=CN=C1)Br
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Product OPENEYE NAME: 3-chloropyridine
CAS Name: 3-chloropyridine
IUPAC NAME: 3-chloropyridine
SYSTEMATIC NAME: 3-chloranylpyridine
MOLECULAR FORMULA: C5H4ClN
MOLECULAR WEIGHT: 113.54496
SMILES: C1=CC(=CN=C1)Cl
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Product OPENEYE NAME: 4-chloropyridine
CAS Name: 4-chloropyridine
IUPAC NAME: 4-chloropyridine
SYSTEMATIC NAME: 4-chloranylpyridine
MOLECULAR FORMULA: C5H4ClN
MOLECULAR WEIGHT: 113.54496
SMILES: C1=CN=CC=C1Cl
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Product OPENEYE NAME: iodocyclohexane
CAS Name: iodocyclohexane
IUPAC NAME: iodocyclohexane
SYSTEMATIC NAME: iodanylcyclohexane
MOLECULAR FORMULA: C6H11I
MOLECULAR WEIGHT: 210.05601
SMILES: C1CCC(CC1)I
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Product OPENEYE NAME: 1H-pyridin-4-one
CAS Name: 1H-pyridin-4-one
IUPAC NAME: 1H-pyridin-4-one
SYSTEMATIC NAME: 1H-pyridin-4-one
MOLECULAR FORMULA: C5H5NO
MOLECULAR WEIGHT: 95.0993
SMILES: C1=CNC=CC1=O
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Product OPENEYE NAME: 1-methylpiperidine
CAS Name: 1-methylpiperidine
IUPAC NAME: 1-methylpiperidine
SYSTEMATIC NAME: 1-methylpiperidine
MOLECULAR FORMULA: C6H13N
MOLECULAR WEIGHT: 99.17412
SMILES: CN1CCCCC1
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Product OPENEYE NAME: 3-methylhexanedioic acid
CAS Name: 3-methylhexanedioic acid
IUPAC NAME: 3-methylhexanedioic acid
SYSTEMATIC NAME: 3-methylhexanedioic acid
MOLECULAR FORMULA: C7H12O4
MOLECULAR WEIGHT: 160.16778
SMILES: CC(CCC(=O)O)CC(=O)O
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Product OPENEYE NAME: propyl hexanoate
CAS Name: hexanoic acid propyl ester
IUPAC NAME: propyl hexanoate
SYSTEMATIC NAME: propyl hexanoate
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: CCCCCC(=O)OCCC
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Product OPENEYE NAME: butyl hexanoate
CAS Name: hexanoic acid butyl ester
IUPAC NAME: butyl hexanoate
SYSTEMATIC NAME: butyl hexanoate
MOLECULAR FORMULA: C10H20O2
MOLECULAR WEIGHT: 172.2646
SMILES: CCCCCC(=O)OCCCC
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Product OPENEYE NAME: 6-ethoxy-6-oxo-hexanoic acid
CAS Name: 6-ethoxy-6-oxohexanoic acid
IUPAC NAME: 6-ethoxy-6-oxohexanoic acid
SYSTEMATIC NAME: 6-ethoxy-6-oxidanylidene-hexanoic acid
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CCOC(=O)CCCCC(=O)O
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