AG71260
64984-60-7 | 4-(Benzylamino)-4-oxobutanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG71260
ChemicalName
4-(Benzylamino)-4-oxobutanoic acid
CasNumber
64984-60-7
MolecularFormula
C11H13NO3
MolecularWeight
207.22582000000006
MdlNumber
MFCD00449649
Smiles
O=C(CCC(=O)O)NCc1ccccc1
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
0.6
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CatalogNumber: AG71260
ChemicalName: 4-(Benzylamino)-4-oxobutanoic acid
CasNumber: 64984-60-7
MolecularFormula: C11H13NO3
MolecularWeight: 207.22582000000006
MdlNumber: MFCD00449649
Smiles: O=C(CCC(=O)O)NCc1ccccc1
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 0.6
CatalogNumber:
AG71260
ChemicalName:
4-(Benzylamino)-4-oxobutanoic acid
CasNumber:
64984-60-7
MolecularFormula:
C11H13NO3
MolecularWeight:
207.22582000000006
MdlNumber:
MFCD00449649
Smiles:
O=C(CCC(=O)O)NCc1ccccc1
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: ClC(=O)c1cc2c(s1)CCCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
ClC(=O)c1cc2c(s1)CCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1c(N)sc(c1C)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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:
CCOC(=O)c1c(N)sc(c1C)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(=O)NC1CCCC1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(=O)NC1CCCC1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__