AJ07915
685543-77-5 | (E)-4-(Benzylamino)-4-oxobut-2-enoic acid
Manufacturer: A2B Chem
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CatalogNumber
AJ07915
ChemicalName
(E)-4-(Benzylamino)-4-oxobut-2-enoic acid
CasNumber
685543-77-5
MolecularFormula
C11H11NO3
MolecularWeight
205.2099
MdlNumber
MFCD00185898
Smiles
O=C(/C=C/C(=O)O)NCc1ccccc1
NscNumber
166479
Complexity
255
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
0.7
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CatalogNumber: AJ07915
ChemicalName: (E)-4-(Benzylamino)-4-oxobut-2-enoic acid
CasNumber: 685543-77-5
MolecularFormula: C11H11NO3
MolecularWeight: 205.2099
MdlNumber: MFCD00185898
Smiles: O=C(/C=C/C(=O)O)NCc1ccccc1
NscNumber: 166479
Complexity: 255
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 0.7
CatalogNumber:
AJ07915
ChemicalName:
(E)-4-(Benzylamino)-4-oxobut-2-enoic acid
CasNumber:
685543-77-5
MolecularFormula:
C11H11NO3
MolecularWeight:
205.2099
MdlNumber:
MFCD00185898
Smiles:
O=C(/C=C/C(=O)O)NCc1ccccc1
NscNumber:
166479
Complexity:
255
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
0.7
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Smiles: ClCC(=O)c1cc2c(cc1Cl)n(c(=O)n2C)C
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Complexity: __
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Smiles:
ClCC(=O)c1cc2c(cc1Cl)n(c(=O)n2C)C
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Smiles: [O-][N+](=O)/C=C/c1ccc2c(c1)c1ccccc1o2
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Smiles:
[O-][N+](=O)/C=C/c1ccc2c(c1)c1ccccc1o2
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Complexity:
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Covalently-bondedUnitCount:
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DefinedBondStereocenterCount:
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HydrogenBondDonorCount:
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Xlogp3:
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Smiles: Clc1cccc(c1)NC(=O)c1ccccc1[N+](=O)[O-]
NscNumber: __
Complexity: __
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HydrogenBondDonorCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Clc1cccc(c1)NC(=O)c1ccccc1[N+](=O)[O-]
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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