AA83643
16205-98-4 | 3-Oxocyclohexanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA83643
ChemicalName
3-Oxocyclohexanecarboxylic acid
CasNumber
16205-98-4
MolecularFormula
C7H10O3
MolecularWeight
142.1525
MdlNumber
MFCD01320172
Smiles
O=C1CCCC(C1)C(=O)O
Complexity
162
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.1
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CatalogNumber: AA83643
ChemicalName: 3-Oxocyclohexanecarboxylic acid
CasNumber: 16205-98-4
MolecularFormula: C7H10O3
MolecularWeight: 142.1525
MdlNumber: MFCD01320172
Smiles: O=C1CCCC(C1)C(=O)O
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.1
CatalogNumber:
AA83643
ChemicalName:
3-Oxocyclohexanecarboxylic acid
CasNumber:
16205-98-4
MolecularFormula:
C7H10O3
MolecularWeight:
142.1525
MdlNumber:
MFCD01320172
Smiles:
O=C1CCCC(C1)C(=O)O
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.1
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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MdlNumber: __
Smiles: CCCC#CC(=O)OCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
CCCC#CC(=O)OCC
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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MolecularFormula: __
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Smiles: CCOC(=O)C#C[Si](C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCOC(=O)C#C[Si](C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cnn2c1cccc2C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cnn2c1cccc2C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__