Tuesday, August 9, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 4-methylpentan-1-ol
CAS Name: 4-methyl-1-pentanol
IUPAC NAME: 4-methylpentan-1-ol
SYSTEMATIC NAME: 4-methylpentan-1-ol
MOLECULAR FORMULA: C6H14O
MOLECULAR WEIGHT: 102.17476
SMILES: CC(C)CCCO
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Product OPENEYE NAME: hexan-2-ol
CAS Name: 2-hexanol
IUPAC NAME: hexan-2-ol
SYSTEMATIC NAME: hexan-2-ol
MOLECULAR FORMULA: C6H14O
MOLECULAR WEIGHT: 102.17476
SMILES: CCCCC(C)O
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Product OPENEYE NAME: pentanamide
CAS Name: pentanamide
IUPAC NAME: pentanamide
SYSTEMATIC NAME: pentanamide
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: CCCCC(=O)N
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Product OPENEYE NAME: pent-2-enoic acid
CAS Name: 2-pentenoic acid
IUPAC NAME: pent-2-enoic acid
SYSTEMATIC NAME: pent-2-enoic acid
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: CCC=CC(=O)O
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Product OPENEYE NAME: 4-chlorobutanoic acid
CAS Name: 4-chlorobutanoic acid
IUPAC NAME: 4-chlorobutanoic acid
SYSTEMATIC NAME: 4-chloranylbutanoic acid
MOLECULAR FORMULA: C4H7ClO2
MOLECULAR WEIGHT: 122.55018
SMILES: C(CC(=O)O)CCl
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Product OPENEYE NAME: 2-ethoxyacetic acid
CAS Name: 2-ethoxyacetic acid
IUPAC NAME: 2-ethoxyacetic acid
SYSTEMATIC NAME: 2-ethoxyethanoic acid
MOLECULAR FORMULA: C4H8O3
MOLECULAR WEIGHT: 104.10452
SMILES: CCOCC(=O)O
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Product OPENEYE NAME: 1-nitrobutane
CAS Name: 1-nitrobutane
IUPAC NAME: 1-nitrobutane
SYSTEMATIC NAME: 1-nitrobutane
MOLECULAR FORMULA: C4H9NO2
MOLECULAR WEIGHT: 103.11976
SMILES: CCCC[N+](=O)[O-]
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Product OPENEYE NAME: propylurea
CAS Name: propylurea
IUPAC NAME: propylurea
SYSTEMATIC NAME: 1-propylurea
MOLECULAR FORMULA: C4H10N2O
MOLECULAR WEIGHT: 102.135
SMILES: CCCNC(=O)N
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Product OPENEYE NAME: 1-isopropoxypropane
CAS Name: 1-propan-2-yloxypropane
IUPAC NAME: 1-propan-2-yloxypropane
SYSTEMATIC NAME: 1-propan-2-yloxypropane
MOLECULAR FORMULA: C6H14O
MOLECULAR WEIGHT: 102.17476
SMILES: CCCOC(C)C
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Product OPENEYE NAME: 2-chloroethyl carbonochloridate
CAS Name: carbonochloridic acid 2-chloroethyl ester
IUPAC NAME: 2-chloroethyl carbonochloridate
SYSTEMATIC NAME: 2-chloroethyl carbonochloridate
MOLECULAR FORMULA: C3H4Cl2O2
MOLECULAR WEIGHT: 142.96866
SMILES: C(CCl)OC(=O)Cl
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Product OPENEYE NAME: propyl carbamate
CAS Name: carbamic acid propyl ester
IUPAC NAME: propyl carbamate
SYSTEMATIC NAME: propyl carbamate
MOLECULAR FORMULA: C4H9NO2
MOLECULAR WEIGHT: 103.11976
SMILES: CCCOC(=O)N
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Product OPENEYE NAME: propyl nitrate
CAS Name: nitric acid propyl ester
IUPAC NAME: propyl nitrate
SYSTEMATIC NAME: propyl nitrate
MOLECULAR FORMULA: C3H7NO3
MOLECULAR WEIGHT: 105.09258
SMILES: CCCO[N+](=O)[O-]
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