AB18228
20795-53-3 | 3-Phenyl-cyclohexanone
Manufacturer: A2B Chem
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CatalogNumber
AB18228
ChemicalName
3-Phenyl-cyclohexanone
CasNumber
20795-53-3
MolecularFormula
C12H14O
MolecularWeight
174.2389600000001
MdlNumber
MFCD00209998
Smiles
O=C1CCCC(C1)c1ccccc1
NscNumber
119037
Complexity
180
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.3
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CatalogNumber: AB18228
ChemicalName: 3-Phenyl-cyclohexanone
CasNumber: 20795-53-3
MolecularFormula: C12H14O
MolecularWeight: 174.2389600000001
MdlNumber: MFCD00209998
Smiles: O=C1CCCC(C1)c1ccccc1
NscNumber: 119037
Complexity: 180
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AB18228
ChemicalName:
3-Phenyl-cyclohexanone
CasNumber:
20795-53-3
MolecularFormula:
C12H14O
MolecularWeight:
174.2389600000001
MdlNumber:
MFCD00209998
Smiles:
O=C1CCCC(C1)c1ccccc1
NscNumber:
119037
Complexity:
180
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3
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Smiles: CCC(=O)CCc1ccccc1
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Smiles:
CCC(=O)CCc1ccccc1
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Smiles: OCCOC(c1ccc(cc1)Cl)C
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Smiles:
OCCOC(c1ccc(cc1)Cl)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: O=C(N[C@H](C(=O)OCc1ccccc1)Cc1c[nH]cn1)OCc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)OCc1ccccc1)Cc1c[nH]cn1)OCc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__