AF68944
32811-75-9 | 3-Oxo-cyclopentanecarboxylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AF68944
ChemicalName
3-Oxo-cyclopentanecarboxylic acid methyl ester
CasNumber
32811-75-9
MolecularFormula
C7H10O3
MolecularWeight
142.1525
MdlNumber
MFCD09832106
Smiles
COC(=O)C1CCC(=O)C1
NscNumber
41335
Complexity
162
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-0.1
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CatalogNumber: AF68944
ChemicalName: 3-Oxo-cyclopentanecarboxylic acid methyl ester
CasNumber: 32811-75-9
MolecularFormula: C7H10O3
MolecularWeight: 142.1525
MdlNumber: MFCD09832106
Smiles: COC(=O)C1CCC(=O)C1
NscNumber: 41335
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.1
CatalogNumber:
AF68944
ChemicalName:
3-Oxo-cyclopentanecarboxylic acid methyl ester
CasNumber:
32811-75-9
MolecularFormula:
C7H10O3
MolecularWeight:
142.1525
MdlNumber:
MFCD09832106
Smiles:
COC(=O)C1CCC(=O)C1
NscNumber:
41335
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1C2CC3CC1CC(C2)(C3)NC=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
C1C2CC3CC1CC(C2)(C3)NC=O
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CN(c1ccccc1F)C
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Smiles:
CN(c1ccccc1F)C
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UndefinedAtomStereocenterCount:
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Smiles: NCCCNc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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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:
NCCCNc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__