AB71012
5396-89-4 | Benzyl acetoacetate
Manufacturer: A2B Chem
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CatalogNumber
AB71012
ChemicalName
Benzyl acetoacetate
CasNumber
5396-89-4
MolecularFormula
C11H12O3
MolecularWeight
192.2112
MdlNumber
MFCD00008785
Smiles
O=C(CC(=O)C)OCc1ccccc1
NscNumber
4391
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
1.8
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CatalogNumber: AB71012
ChemicalName: Benzyl acetoacetate
CasNumber: 5396-89-4
MolecularFormula: C11H12O3
MolecularWeight: 192.2112
MdlNumber: MFCD00008785
Smiles: O=C(CC(=O)C)OCc1ccccc1
NscNumber: 4391
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 1.8
CatalogNumber:
AB71012
ChemicalName:
Benzyl acetoacetate
CasNumber:
5396-89-4
MolecularFormula:
C11H12O3
MolecularWeight:
192.2112
MdlNumber:
MFCD00008785
Smiles:
O=C(CC(=O)C)OCc1ccccc1
NscNumber:
4391
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
1.8
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Smiles: N#CC(c1cc(ccc1[N+](=O)[O-])C(F)(F)F)C(=O)OCc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N#CC(c1cc(ccc1[N+](=O)[O-])C(F)(F)F)C(=O)OCc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
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Smiles: [N-]=[N+]=NCc1ccccc1
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Smiles:
[N-]=[N+]=NCc1ccccc1
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__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCCOCC1=CC=CC=C1
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCCCOCC1=CC=CC=C1
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__