AB60296
97-36-9 | N-(2,4-Dimethylphenyl)-3-oxobutyramide
Manufacturer: A2B Chem
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CatalogNumber
AB60296
ChemicalName
N-(2,4-Dimethylphenyl)-3-oxobutyramide
CasNumber
97-36-9
MolecularFormula
C12H15NO2
MolecularWeight
205.253
MdlNumber
MFCD00039836
Smiles
O=C(Nc1ccc(cc1C)C)CC(=O)C
NscNumber
8398
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AB60296
ChemicalName: N-(2,4-Dimethylphenyl)-3-oxobutyramide
CasNumber: 97-36-9
MolecularFormula: C12H15NO2
MolecularWeight: 205.253
MdlNumber: MFCD00039836
Smiles: O=C(Nc1ccc(cc1C)C)CC(=O)C
NscNumber: 8398
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AB60296
ChemicalName:
N-(2,4-Dimethylphenyl)-3-oxobutyramide
CasNumber:
97-36-9
MolecularFormula:
C12H15NO2
MolecularWeight:
205.253
MdlNumber:
MFCD00039836
Smiles:
O=C(Nc1ccc(cc1C)C)CC(=O)C
NscNumber:
8398
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.9
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Smiles: Cc1ccc(c(c1)C)N.Cl
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Smiles:
Cc1ccc(c(c1)C)N.Cl
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Smiles: Cc1cc(C)c(cc1S(=O)(=O)[O-])N.[Na+]
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Smiles:
Cc1cc(C)c(cc1S(=O)(=O)[O-])N.[Na+]
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__