AI55495
72335-55-8 | 1-Benzylcyclohexanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI55495
ChemicalName
1-Benzylcyclohexanecarboxylic acid
CasNumber
72335-55-8
MolecularFormula
C14H18O2
MolecularWeight
218.2915
MdlNumber
MFCD09865181
Smiles
OC(=O)C1(CCCCC1)Cc1ccccc1
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AI55495
ChemicalName: 1-Benzylcyclohexanecarboxylic acid
CasNumber: 72335-55-8
MolecularFormula: C14H18O2
MolecularWeight: 218.2915
MdlNumber: MFCD09865181
Smiles: OC(=O)C1(CCCCC1)Cc1ccccc1
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AI55495
ChemicalName:
1-Benzylcyclohexanecarboxylic acid
CasNumber:
72335-55-8
MolecularFormula:
C14H18O2
MolecularWeight:
218.2915
MdlNumber:
MFCD09865181
Smiles:
OC(=O)C1(CCCCC1)Cc1ccccc1
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.6
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MolecularFormula: __
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Smiles: [O-][N+](=O)c1scc(c1Br)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
[O-][N+](=O)c1scc(c1Br)C
Complexity:
__
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__
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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__
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Smiles: O=c1ccn(cc1)Cc1ccccc1
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Xlogp3: __
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Smiles:
O=c1ccn(cc1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCS(=O)(=O)Nc1cccc(c1)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCS(=O)(=O)Nc1cccc(c1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__