AA34288
125971-57-5 | 2-Benzylidene isobutyryl acetanilide
Manufacturer: A2B Chem
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CatalogNumber
AA34288
ChemicalName
2-Benzylidene isobutyryl acetanilide
CasNumber
125971-57-5
MolecularFormula
C19H19NO2
MolecularWeight
293.3597
MdlNumber
MFCD00671709
Smiles
CC(C(=O)C(=Cc1ccccc1)C(=O)Nc1ccccc1)C
Complexity
413
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
4.7
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CatalogNumber: AA34288
ChemicalName: 2-Benzylidene isobutyryl acetanilide
CasNumber: 125971-57-5
MolecularFormula: C19H19NO2
MolecularWeight: 293.3597
MdlNumber: MFCD00671709
Smiles: CC(C(=O)C(=Cc1ccccc1)C(=O)Nc1ccccc1)C
Complexity: 413
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 4.7
CatalogNumber:
AA34288
ChemicalName:
2-Benzylidene isobutyryl acetanilide
CasNumber:
125971-57-5
MolecularFormula:
C19H19NO2
MolecularWeight:
293.3597
MdlNumber:
MFCD00671709
Smiles:
CC(C(=O)C(=Cc1ccccc1)C(=O)Nc1ccccc1)C
Complexity:
413
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
4.7
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Smiles: O=CCN(C)C.Cl
Complexity: __
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Smiles:
O=CCN(C)C.Cl
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DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: COc1cc(OC)nc(n1)C=O
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)nc(n1)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(OC)nc(n1)CO
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)nc(n1)CO
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__