AD68223
171905-91-2 | 2-(3-Methoxycarbonylphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD68223
ChemicalName
2-(3-Methoxycarbonylphenyl)benzoic acid
CasNumber
171905-91-2
MolecularFormula
C15H12O4
MolecularWeight
256.2534
MdlNumber
MFCD06203602
Smiles
COC(=O)c1cccc(c1)c1ccccc1C(=O)O
Complexity
339
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.7
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CatalogNumber: AD68223
ChemicalName: 2-(3-Methoxycarbonylphenyl)benzoic acid
CasNumber: 171905-91-2
MolecularFormula: C15H12O4
MolecularWeight: 256.2534
MdlNumber: MFCD06203602
Smiles: COC(=O)c1cccc(c1)c1ccccc1C(=O)O
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.7
CatalogNumber:
AD68223
ChemicalName:
2-(3-Methoxycarbonylphenyl)benzoic acid
CasNumber:
171905-91-2
MolecularFormula:
C15H12O4
MolecularWeight:
256.2534
MdlNumber:
MFCD06203602
Smiles:
COC(=O)c1cccc(c1)c1ccccc1C(=O)O
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.7
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Smiles: ClC(=O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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Smiles:
ClC(=O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
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Smiles: O=Cc1cc(Br)ccc1N(C)C
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Smiles:
O=Cc1cc(Br)ccc1N(C)C
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Smiles: CCOC(=O)c1cnc(c(c1)[N+](=O)[O-])Cl
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
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:
CCOC(=O)c1cnc(c(c1)[N+](=O)[O-])Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__