AB66510
586-89-0 | 4-Acetylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB66510
ChemicalName
4-Acetylbenzoic acid
CasNumber
586-89-0
MolecularFormula
C9H8O3
MolecularWeight
164.158
MdlNumber
MFCD00002561
Smiles
CC(=O)c1ccc(cc1)C(=O)O
NscNumber
16644
Complexity
190
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AB66510
ChemicalName: 4-Acetylbenzoic acid
CasNumber: 586-89-0
MolecularFormula: C9H8O3
MolecularWeight: 164.158
MdlNumber: MFCD00002561
Smiles: CC(=O)c1ccc(cc1)C(=O)O
NscNumber: 16644
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB66510
ChemicalName:
4-Acetylbenzoic acid
CasNumber:
586-89-0
MolecularFormula:
C9H8O3
MolecularWeight:
164.158
MdlNumber:
MFCD00002561
Smiles:
CC(=O)c1ccc(cc1)C(=O)O
NscNumber:
16644
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: AB66511
ChemicalName: 4-Acetylbiphenyl
CasNumber: 92-91-1
MolecularFormula: C14H12O
MolecularWeight: 196.2445
MdlNumber: MFCD00008749
Smiles: CC(=O)c1ccc(cc1)c1ccccc1
NscNumber: 1875
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.7
CatalogNumber:
AB66511
ChemicalName:
4-Acetylbiphenyl
CasNumber:
92-91-1
MolecularFormula:
C14H12O
MolecularWeight:
196.2445
MdlNumber:
MFCD00008749
Smiles:
CC(=O)c1ccc(cc1)c1ccccc1
NscNumber:
1875
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1ccc(cc1)S(=O)(=O)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1ccc(cc1)S(=O)(=O)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)N1CCOCC1
NscNumber: __
Complexity: 108
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)N1CCOCC1
NscNumber:
__
Complexity:
108
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.7