AC96505
6908-52-7 | [4-(4-Methylphenyl)phenyl]acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AC96505
ChemicalName
[4-(4-Methylphenyl)phenyl]acetic acid
CasNumber
6908-52-7
MolecularFormula
C15H14O2
MolecularWeight
226.2705
MdlNumber
MFCD05978943
Smiles
OC(=O)Cc1ccc(cc1)c1ccc(cc1)C
Complexity
246
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.5
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CatalogNumber: AC96505
ChemicalName: [4-(4-Methylphenyl)phenyl]acetic acid
CasNumber: 6908-52-7
MolecularFormula: C15H14O2
MolecularWeight: 226.2705
MdlNumber: MFCD05978943
Smiles: OC(=O)Cc1ccc(cc1)c1ccc(cc1)C
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AC96505
ChemicalName:
[4-(4-Methylphenyl)phenyl]acetic acid
CasNumber:
6908-52-7
MolecularFormula:
C15H14O2
MolecularWeight:
226.2705
MdlNumber:
MFCD05978943
Smiles:
OC(=O)Cc1ccc(cc1)c1ccc(cc1)C
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: __
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Smiles: Cn1c(=O)nc2-c(c1=O)cc1c(n2c2ccccc2)cccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cn1c(=O)nc2-c(c1=O)cc1c(n2c2ccccc2)cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCCCOc1cc2c(cc1OCCCCC)c1cc(OCCCCC)c(cc1c1c2cc(OCCCCC)c(c1)OCCCCC)OCCCCC
Complexity: __
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Smiles:
CCCCCOc1cc2c(cc1OCCCCC)c1cc(OCCCCC)c(cc1c1c2cc(OCCCCC)c(c1)OCCCCC)OCCCCC
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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ChemicalName: __
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Smiles: O=C1CCC2(C[C@H]1ONc1ccccc1)OCCO2
Complexity: __
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HeavyAtomCount: __
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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:
O=C1CCC2(C[C@H]1ONc1ccccc1)OCCO2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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