AI46231
26961-99-9 | 4-(N-methylacetamido)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI46231
ChemicalName
4-(N-methylacetamido)benzoic acid
CasNumber
26961-99-9
MolecularFormula
C10H11NO3
MolecularWeight
193.1992
MdlNumber
MFCD20542852
Smiles
CN(c1ccc(cc1)C(=O)O)C(=O)C
NscNumber
138296
Complexity
232
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.5
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CatalogNumber: AI46231
ChemicalName: 4-(N-methylacetamido)benzoic acid
CasNumber: 26961-99-9
MolecularFormula: C10H11NO3
MolecularWeight: 193.1992
MdlNumber: MFCD20542852
Smiles: CN(c1ccc(cc1)C(=O)O)C(=O)C
NscNumber: 138296
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AI46231
ChemicalName:
4-(N-methylacetamido)benzoic acid
CasNumber:
26961-99-9
MolecularFormula:
C10H11NO3
MolecularWeight:
193.1992
MdlNumber:
MFCD20542852
Smiles:
CN(c1ccc(cc1)C(=O)O)C(=O)C
NscNumber:
138296
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.5
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Smiles: COc1cc(=O)c2c(o1)cccc2
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1cc(=O)c2c(o1)cccc2
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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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Smiles: OC(=O)C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)OCC1c2ccccc2-c2c1cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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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:
__
MdlNumber:
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Smiles:
OC(=O)C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)OCC1c2ccccc2-c2c1cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: N[C@H](Cc1cccc(c1)C(F)(F)F)CC(=O)O.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H](Cc1cccc(c1)C(F)(F)F)CC(=O)O.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__