AD34805
4056-78-4 | Cyclopentane-1,3-dicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD34805
ChemicalName
Cyclopentane-1,3-dicarboxylic acid
CasNumber
4056-78-4
MolecularFormula
C7H10O4
MolecularWeight
158.1519
MdlNumber
MFCD01735467
Smiles
OC(=O)C1CCC(C1)C(=O)O
Complexity
167
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
0.1
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CatalogNumber: AD34805
ChemicalName: Cyclopentane-1,3-dicarboxylic acid
CasNumber: 4056-78-4
MolecularFormula: C7H10O4
MolecularWeight: 158.1519
MdlNumber: MFCD01735467
Smiles: OC(=O)C1CCC(C1)C(=O)O
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 0.1
CatalogNumber:
AD34805
ChemicalName:
Cyclopentane-1,3-dicarboxylic acid
CasNumber:
4056-78-4
MolecularFormula:
C7H10O4
MolecularWeight:
158.1519
MdlNumber:
MFCD01735467
Smiles:
OC(=O)C1CCC(C1)C(=O)O
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
0.1
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Smiles: Nc1cccc(c1)C(=O)NC1=NN(C(=O)C1)c1c(Cl)cc(cc1Cl)Cl
Complexity: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
Nc1cccc(c1)C(=O)NC1=NN(C(=O)C1)c1c(Cl)cc(cc1Cl)Cl
Complexity:
__
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: C=CCc1cc(OC)c(c(c1)O)O
Complexity: __
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Smiles:
C=CCc1cc(OC)c(c(c1)O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: NN1C(C)CCCC1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NN1C(C)CCCC1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__