AH06491
62088-12-4 | Ethyl 4-(4-nitrophenyl)-3-oxobutanoate
Manufacturer: A2B Chem
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CatalogNumber
AH06491
ChemicalName
Ethyl 4-(4-nitrophenyl)-3-oxobutanoate
CasNumber
62088-12-4
MolecularFormula
C12H13NO5
MolecularWeight
251.2353
MdlNumber
MFCD03844424
Smiles
CCOC(=O)CC(=O)Cc1ccc(cc1)[N+](=O)[O-]
Complexity
315
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
RotatableBondCount
6
Xlogp3
1.8
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CatalogNumber: AH06491
ChemicalName: Ethyl 4-(4-nitrophenyl)-3-oxobutanoate
CasNumber: 62088-12-4
MolecularFormula: C12H13NO5
MolecularWeight: 251.2353
MdlNumber: MFCD03844424
Smiles: CCOC(=O)CC(=O)Cc1ccc(cc1)[N+](=O)[O-]
Complexity: 315
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
Xlogp3: 1.8
CatalogNumber:
AH06491
ChemicalName:
Ethyl 4-(4-nitrophenyl)-3-oxobutanoate
CasNumber:
62088-12-4
MolecularFormula:
C12H13NO5
MolecularWeight:
251.2353
MdlNumber:
MFCD03844424
Smiles:
CCOC(=O)CC(=O)Cc1ccc(cc1)[N+](=O)[O-]
Complexity:
315
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
Xlogp3:
1.8
CatalogNumber: __
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Smiles: O=C1CCC(c2c1cccc2)N.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
O=C1CCC(c2c1cccc2)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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MolecularFormula: __
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Smiles: OC(=O)CN1C(=C)c2c(C1=O)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)CN1C(=C)c2c(C1=O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(N1C(=C)c2c(C1=O)cccc2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(N1C(=C)c2c(C1=O)cccc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__