AG22017
505082-92-8 | 4-(3,5-Dimethylphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG22017
ChemicalName
4-(3,5-Dimethylphenyl)benzoic acid
CasNumber
505082-92-8
MolecularFormula
C15H14O2
MolecularWeight
226.2705
MdlNumber
MFCD06201436
Smiles
OC(=O)c1ccc(cc1)c1cc(C)cc(c1)C
Complexity
256
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.3
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CatalogNumber: AG22017
ChemicalName: 4-(3,5-Dimethylphenyl)benzoic acid
CasNumber: 505082-92-8
MolecularFormula: C15H14O2
MolecularWeight: 226.2705
MdlNumber: MFCD06201436
Smiles: OC(=O)c1ccc(cc1)c1cc(C)cc(c1)C
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.3
CatalogNumber:
AG22017
ChemicalName:
4-(3,5-Dimethylphenyl)benzoic acid
CasNumber:
505082-92-8
MolecularFormula:
C15H14O2
MolecularWeight:
226.2705
MdlNumber:
MFCD06201436
Smiles:
OC(=O)c1ccc(cc1)c1cc(C)cc(c1)C
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)Cc1ccccc1C(=O)O
Complexity: 262
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(CC1)Cc1ccccc1C(=O)O
Complexity:
262
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CC1=NC(=CC=C1)CBr
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C=CC1=NC(=CC=C1)CBr
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCc1nnc(o1)CCl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCc1nnc(o1)CCl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__