AB54096
579-07-7 | 1-Phenyl-1,2-propanedione
Manufacturer: A2B Chem
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CatalogNumber
AB54096
ChemicalName
1-Phenyl-1,2-propanedione
CasNumber
579-07-7
MolecularFormula
C9H8O2
MolecularWeight
148.1586
MdlNumber
MFCD00008755
Smiles
O=C(c1ccccc1)C(=O)C
NscNumber
7643
Complexity
166
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AB54096
ChemicalName: 1-Phenyl-1,2-propanedione
CasNumber: 579-07-7
MolecularFormula: C9H8O2
MolecularWeight: 148.1586
MdlNumber: MFCD00008755
Smiles: O=C(c1ccccc1)C(=O)C
NscNumber: 7643
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AB54096
ChemicalName:
1-Phenyl-1,2-propanedione
CasNumber:
579-07-7
MolecularFormula:
C9H8O2
MolecularWeight:
148.1586
MdlNumber:
MFCD00008755
Smiles:
O=C(c1ccccc1)C(=O)C
NscNumber:
7643
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: AB54097
ChemicalName: 1-Phenylimidazole
CasNumber: 7164-98-9
MolecularFormula: C9H8N2
MolecularWeight: 144.17322000000004
MdlNumber: MFCD00041204
Smiles: c1ccc(cc1)n1cncc1
NscNumber: __
Complexity: 119
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AB54097
ChemicalName:
1-Phenylimidazole
CasNumber:
7164-98-9
MolecularFormula:
C9H8N2
MolecularWeight:
144.17322000000004
MdlNumber:
MFCD00041204
Smiles:
c1ccc(cc1)n1cncc1
NscNumber:
__
Complexity:
119
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: AB54098
ChemicalName: 1-Phenylisatin
CasNumber: 723-89-7
MolecularFormula: C14H9NO2
MolecularWeight: 223.2268
MdlNumber: MFCD00082681
Smiles: O=C1C(=O)c2c(N1c1ccccc1)cccc2
NscNumber: 100013
Complexity: 333
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AB54098
ChemicalName:
1-Phenylisatin
CasNumber:
723-89-7
MolecularFormula:
C14H9NO2
MolecularWeight:
223.2268
MdlNumber:
MFCD00082681
Smiles:
O=C1C(=O)c2c(N1c1ccccc1)cccc2
NscNumber:
100013
Complexity:
333
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N1CCN(CC1)Cc1ccc2c(c1)OCO2
NscNumber: __
Complexity: 231
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N1CCN(CC1)Cc1ccc2c(c1)OCO2
NscNumber:
__
Complexity:
231
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1