AH19702
66073-33-4 | ethyl 4-(2-nitrophenyl)-3-oxobutanoate
Manufacturer: A2B Chem
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CatalogNumber
AH19702
ChemicalName
ethyl 4-(2-nitrophenyl)-3-oxobutanoate
CasNumber
66073-33-4
MolecularFormula
C12H13NO5
MolecularWeight
251.2353
MdlNumber
MFCD01926658
Smiles
CCOC(=O)CC(=O)Cc1ccccc1[N+](=O)[O-]
Complexity
323
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
RotatableBondCount
6
Xlogp3
1.8
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CatalogNumber: AH19702
ChemicalName: ethyl 4-(2-nitrophenyl)-3-oxobutanoate
CasNumber: 66073-33-4
MolecularFormula: C12H13NO5
MolecularWeight: 251.2353
MdlNumber: MFCD01926658
Smiles: CCOC(=O)CC(=O)Cc1ccccc1[N+](=O)[O-]
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
Xlogp3: 1.8
CatalogNumber:
AH19702
ChemicalName:
ethyl 4-(2-nitrophenyl)-3-oxobutanoate
CasNumber:
66073-33-4
MolecularFormula:
C12H13NO5
MolecularWeight:
251.2353
MdlNumber:
MFCD01926658
Smiles:
CCOC(=O)CC(=O)Cc1ccccc1[N+](=O)[O-]
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
Xlogp3:
1.8
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Smiles: Cc1ncc2c(n1)CCNC2
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Smiles:
Cc1ncc2c(n1)CCNC2
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Smiles: CC(=C)CNCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2
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Smiles:
CC(=C)CNCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2
Complexity:
__
Covalently-bondedUnitCount:
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Xlogp3:
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Smiles: CC1C(C(CC(O1)OC2C(CC3=C(C2=O)C(=C4C(=C3)C=C(C=C4O)OC5CC(C(C(O5)C)OC(=O)C)OC6CC(C(C(O6)C)OC)O)O)C(C(=O)C(C(C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C(C)C)(C)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC1C(C(CC(O1)OC2C(CC3=C(C2=O)C(=C4C(=C3)C=C(C=C4O)OC5CC(C(C(O5)C)OC(=O)C)OC6CC(C(C(O6)C)OC)O)O)C(C(=O)C(C(C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C(C)C)(C)O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__