AE22502
10345-87-6 | 3-Phenylcyclohex-2-en-1-one
Manufacturer: A2B Chem
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CatalogNumber
AE22502
ChemicalName
3-Phenylcyclohex-2-en-1-one
CasNumber
10345-87-6
MolecularFormula
C12H12O
MolecularWeight
172.2231
MdlNumber
MFCD00029515
Smiles
O=C1CCCC(=C1)c1ccccc1
NscNumber
63067
Complexity
221
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AE22502
ChemicalName: 3-Phenylcyclohex-2-en-1-one
CasNumber: 10345-87-6
MolecularFormula: C12H12O
MolecularWeight: 172.2231
MdlNumber: MFCD00029515
Smiles: O=C1CCCC(=C1)c1ccccc1
NscNumber: 63067
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AE22502
ChemicalName:
3-Phenylcyclohex-2-en-1-one
CasNumber:
10345-87-6
MolecularFormula:
C12H12O
MolecularWeight:
172.2231
MdlNumber:
MFCD00029515
Smiles:
O=C1CCCC(=C1)c1ccccc1
NscNumber:
63067
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
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Smiles: CC(C)S(=O)(=O)C1=CC=C(S1)Br
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Complexity: __
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Smiles:
CC(C)S(=O)(=O)C1=CC=C(S1)Br
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Complexity:
__
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__
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__
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Smiles: C[C@H](Cc1cc2CCN(c2c(c1)C(=O)N)C(C(C(O)([2H])[2H])([2H])[2H])([2H])[2H])NCCOc1ccccc1OCC(F)(F)F
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Smiles:
C[C@H](Cc1cc2CCN(c2c(c1)C(=O)N)C(C(C(O)([2H])[2H])([2H])[2H])([2H])[2H])NCCOc1ccccc1OCC(F)(F)F
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Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: O=C(N1CCC(CC1)N1C2CNCC1CC2)OC(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC(CC1)N1C2CNCC1CC2)OC(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__