AB44393
586-42-5 | 3-Acetylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44393
ChemicalName
3-Acetylbenzoic acid
CasNumber
586-42-5
MolecularFormula
C9H8O3
MolecularWeight
164.158
MdlNumber
MFCD00045847
Smiles
CC(=O)c1cccc(c1)C(=O)O
NscNumber
2932
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AB44393
ChemicalName: 3-Acetylbenzoic acid
CasNumber: 586-42-5
MolecularFormula: C9H8O3
MolecularWeight: 164.158
MdlNumber: MFCD00045847
Smiles: CC(=O)c1cccc(c1)C(=O)O
NscNumber: 2932
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB44393
ChemicalName:
3-Acetylbenzoic acid
CasNumber:
586-42-5
MolecularFormula:
C9H8O3
MolecularWeight:
164.158
MdlNumber:
MFCD00045847
Smiles:
CC(=O)c1cccc(c1)C(=O)O
NscNumber:
2932
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: AB44394
ChemicalName: 3-Acetylindole
CasNumber: 703-80-0
MolecularFormula: C10H9NO
MolecularWeight: 159.1846
MdlNumber: MFCD00005626
Smiles: CC(=O)c1c[nH]c2c1cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB44394
ChemicalName:
3-Acetylindole
CasNumber:
703-80-0
MolecularFormula:
C10H9NO
MolecularWeight:
159.1846
MdlNumber:
MFCD00005626
Smiles:
CC(=O)c1c[nH]c2c1cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB44395
ChemicalName: 3-Allyloxypropionic acid
CasNumber: 22577-15-7
MolecularFormula: C6H10O3
MolecularWeight: 130.1418
MdlNumber: MFCD00039537
Smiles: C=CCOCCC(=O)O
NscNumber: __
Complexity: 98.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 0.2
CatalogNumber:
AB44395
ChemicalName:
3-Allyloxypropionic acid
CasNumber:
22577-15-7
MolecularFormula:
C6H10O3
MolecularWeight:
130.1418
MdlNumber:
MFCD00039537
Smiles:
C=CCOCCC(=O)O
NscNumber:
__
Complexity:
98.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1n[nH]c(c1)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1n[nH]c(c1)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__