AF31226
28269-03-6 | 4-Oxo-cyclopentane-trans-1,2-dicarboxylic acid dimethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AF31226
ChemicalName
4-Oxo-cyclopentane-trans-1,2-dicarboxylic acid dimethyl ester
CasNumber
28269-03-6
MolecularFormula
C9H12O5
MolecularWeight
200.1886
MdlNumber
MFCD06409224
Smiles
COC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)OC
Complexity
244
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
-0.6
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CatalogNumber: AF31226
ChemicalName: 4-Oxo-cyclopentane-trans-1,2-dicarboxylic acid dimethyl ester
CasNumber: 28269-03-6
MolecularFormula: C9H12O5
MolecularWeight: 200.1886
MdlNumber: MFCD06409224
Smiles: COC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)OC
Complexity: 244
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: -0.6
CatalogNumber:
AF31226
ChemicalName:
4-Oxo-cyclopentane-trans-1,2-dicarboxylic acid dimethyl ester
CasNumber:
28269-03-6
MolecularFormula:
C9H12O5
MolecularWeight:
200.1886
MdlNumber:
MFCD06409224
Smiles:
COC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)OC
Complexity:
244
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Fc1ccc2c(c1)c(N)cc(n2)C
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Fc1ccc2c(c1)c(N)cc(n2)C
Complexity:
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__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: CCCC(NC(=O)OC(C)(C)C)CC(=O)O
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCC(NC(=O)OC(C)(C)C)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC(c1cccc(c1)[N+](=O)[O-])NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC(c1cccc(c1)[N+](=O)[O-])NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__