Wednesday, August 10, 2011

All Chemical Compounds Information




Product OPENEYE NAME: oxirane-2-carbaldehyde
CAS Name: 2-oxiranecarboxaldehyde
IUPAC NAME: oxirane-2-carbaldehyde
SYSTEMATIC NAME: oxirane-2-carbaldehyde
MOLECULAR FORMULA: C3H4O2
MOLECULAR WEIGHT: 72.06266
SMILES: C1C(O1)C=O
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Product OPENEYE NAME: 2-methylpyrrolidine
CAS Name: 2-methylpyrrolidine
IUPAC NAME: 2-methylpyrrolidine
SYSTEMATIC NAME: 2-methylpyrrolidine
MOLECULAR FORMULA: C5H11N
MOLECULAR WEIGHT: 85.14754
SMILES: CC1CCCN1
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Product OPENEYE NAME: 1-cyclopropylethanone
CAS Name: 1-cyclopropylethanone
IUPAC NAME: 1-cyclopropylethanone
SYSTEMATIC NAME: 1-cyclopropylethanone
MOLECULAR FORMULA: C5H8O
MOLECULAR WEIGHT: 84.11642
SMILES: CC(=O)C1CC1
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Product OPENEYE NAME: 2-methylcyclopentane-1,3-dione
CAS Name: 2-methylcyclopentane-1,3-dione
IUPAC NAME: 2-methylcyclopentane-1,3-dione
SYSTEMATIC NAME: 2-methylcyclopentane-1,3-dione
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: CC1C(=O)CCC1=O
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Product OPENEYE NAME: cyclohexane-1,2-dione
CAS Name: cyclohexane-1,2-dione
IUPAC NAME: cyclohexane-1,2-dione
SYSTEMATIC NAME: cyclohexane-1,2-dione
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: C1CCC(=O)C(=O)C1
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Product OPENEYE NAME: 1-ethylpiperidine
CAS Name: 1-ethylpiperidine
IUPAC NAME: 1-ethylpiperidine
SYSTEMATIC NAME: 1-ethylpiperidine
MOLECULAR FORMULA: C7H15N
MOLECULAR WEIGHT: 113.2007
SMILES: CCN1CCCCC1
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Product OPENEYE NAME: 4,4-dimethyl-1,3-dioxane
CAS Name: 4,4-dimethyl-1,3-dioxane
IUPAC NAME: 4,4-dimethyl-1,3-dioxane
SYSTEMATIC NAME: 4,4-dimethyl-1,3-dioxane
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CC1(CCOCO1)C
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Product OPENEYE NAME: 2,4-dimethyl-1,3-dioxane
CAS Name: 2,4-dimethyl-1,3-dioxane
IUPAC NAME: 2,4-dimethyl-1,3-dioxane
SYSTEMATIC NAME: 2,4-dimethyl-1,3-dioxane
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CC1CCOC(O1)C
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Product OPENEYE NAME: 3,4-dimethylfuran-2,5-dione
CAS Name: 3,4-dimethylfuran-2,5-dione
IUPAC NAME: 3,4-dimethylfuran-2,5-dione
SYSTEMATIC NAME: 3,4-dimethylfuran-2,5-dione
MOLECULAR FORMULA: C6H6O3
MOLECULAR WEIGHT: 126.11004
SMILES: CC1=C(C(=O)OC1=O)C
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