AC95921
97364-15-3 | 4-(1-Hydroxy-ethyl)-benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC95921
ChemicalName
4-(1-Hydroxy-ethyl)-benzoic acid
CasNumber
97364-15-3
MolecularFormula
C9H10O3
MolecularWeight
166.1739
MdlNumber
MFCD00870634
Smiles
CC(c1ccc(cc1)C(=O)O)O
Complexity
159
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.4
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CatalogNumber: AC95921
ChemicalName: 4-(1-Hydroxy-ethyl)-benzoic acid
CasNumber: 97364-15-3
MolecularFormula: C9H10O3
MolecularWeight: 166.1739
MdlNumber: MFCD00870634
Smiles: CC(c1ccc(cc1)C(=O)O)O
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.4
CatalogNumber:
AC95921
ChemicalName:
4-(1-Hydroxy-ethyl)-benzoic acid
CasNumber:
97364-15-3
MolecularFormula:
C9H10O3
MolecularWeight:
166.1739
MdlNumber:
MFCD00870634
Smiles:
CC(c1ccc(cc1)C(=O)O)O
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(OC(C)(C)C)NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
O=C(OC(C)(C)C)NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1)Nc1ccc(cc1N)S(=O)(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Nc1ccc(cc1)Nc1ccc(cc1N)S(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCOc1ccc(cc1)c1ccc(cc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCOc1ccc(cc1)c1ccc(cc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__