AB70984
1087-97-4 | Diethyl 2-benzoylmalonate
Manufacturer: A2B Chem
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CatalogNumber
AB70984
ChemicalName
Diethyl 2-benzoylmalonate
CasNumber
1087-97-4
MolecularFormula
C14H16O5
MolecularWeight
264.2738
MdlNumber
MFCD00059381
Smiles
CCOC(=O)C(C(=O)c1ccccc1)C(=O)OCC
Complexity
313
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
RotatableBondCount
8
Xlogp3
2.5
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CatalogNumber: AB70984
ChemicalName: Diethyl 2-benzoylmalonate
CasNumber: 1087-97-4
MolecularFormula: C14H16O5
MolecularWeight: 264.2738
MdlNumber: MFCD00059381
Smiles: CCOC(=O)C(C(=O)c1ccccc1)C(=O)OCC
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 8
Xlogp3: 2.5
CatalogNumber:
AB70984
ChemicalName:
Diethyl 2-benzoylmalonate
CasNumber:
1087-97-4
MolecularFormula:
C14H16O5
MolecularWeight:
264.2738
MdlNumber:
MFCD00059381
Smiles:
CCOC(=O)C(C(=O)c1ccccc1)C(=O)OCC
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
8
Xlogp3:
2.5
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Smiles: O=C(c1ccccc1)C[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
O=C(c1ccccc1)C[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(c1ccccc1)SCC[N+](C)(C)C.[I-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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:
O=C(c1ccccc1)SCC[N+](C)(C)C.[I-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1)NC(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1)NC(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__