Sunday, August 7, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 4-methylcyclohexanol
CAS Name: 4-methyl-1-cyclohexanol
IUPAC NAME: 4-methylcyclohexan-1-ol
SYSTEMATIC NAME: 4-methylcyclohexan-1-ol
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CC1CCC(CC1)O
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Product OPENEYE NAME: 4-methylcyclohexanone
CAS Name: 4-methyl-1-cyclohexanone
IUPAC NAME: 4-methylcyclohexan-1-one
SYSTEMATIC NAME: 4-methylcyclohexan-1-one
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: CC1CCC(=O)CC1
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Product OPENEYE NAME: 2,5-dimethylpyridine
CAS Name: 2,5-dimethylpyridine
IUPAC NAME: 2,5-dimethylpyridine
SYSTEMATIC NAME: 2,5-dimethylpyridine
MOLECULAR FORMULA: C7H9N
MOLECULAR WEIGHT: 107.15306
SMILES: CC1=CN=C(C=C1)C
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Product OPENEYE NAME: octan-3-ol
CAS Name: 3-octanol
IUPAC NAME: octan-3-ol
SYSTEMATIC NAME: octan-3-ol
MOLECULAR FORMULA: C8H18O
MOLECULAR WEIGHT: 130.22792
SMILES: CCCCCC(CC)O
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Product OPENEYE NAME: butyl propanoate
CAS Name: propanoic acid butyl ester
IUPAC NAME: butyl propanoate
SYSTEMATIC NAME: butyl propanoate
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CCCCOC(=O)CC
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Product OPENEYE NAME: butyl 2-chloroacetate
CAS Name: 2-chloroacetic acid butyl ester
IUPAC NAME: butyl 2-chloroacetate
SYSTEMATIC NAME: butyl 2-chloranylethanoate
MOLECULAR FORMULA: C6H11ClO2
MOLECULAR WEIGHT: 150.60334
SMILES: CCCCOC(=O)CCl
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Product OPENEYE NAME: 1-fluorooctan-2-one
CAS Name: 1-fluoro-2-octanone
IUPAC NAME: 1-fluorooctan-2-one
SYSTEMATIC NAME: 1-fluoranyloctan-2-one
MOLECULAR FORMULA: C8H15FO
MOLECULAR WEIGHT: 146.202503
SMILES: CCCCCCC(=O)CF
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Product OPENEYE NAME: pentyl N-hydroxycarbamate
CAS Name: N-hydroxycarbamic acid pentyl ester
IUPAC NAME: pentyl N-hydroxycarbamate
SYSTEMATIC NAME: pentyl N-oxidanylcarbamate
MOLECULAR FORMULA: C6H13NO3
MOLECULAR WEIGHT: 147.17232
SMILES: CCCCCOC(=O)NO
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Product OPENEYE NAME: 1-bromoprop-1-ene
CAS Name: 1-bromo-1-propene
IUPAC NAME: 1-bromoprop-1-ene
SYSTEMATIC NAME: 1-bromanylprop-1-ene
MOLECULAR FORMULA: C3H5Br
MOLECULAR WEIGHT: 120.9758
SMILES: CC=CBr
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