AG66185
61888-37-7 | 5-(4-Methylphenyl)cyclohexane-1,3-dione
Manufacturer: A2B Chem
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CatalogNumber
AG66185
ChemicalName
5-(4-Methylphenyl)cyclohexane-1,3-dione
CasNumber
61888-37-7
MolecularFormula
C13H14O2
MolecularWeight
202.2491
MdlNumber
MFCD00111717
Smiles
O=C1CC(CC(=O)C1)c1ccc(cc1)C
Complexity
246
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AG66185
ChemicalName: 5-(4-Methylphenyl)cyclohexane-1,3-dione
CasNumber: 61888-37-7
MolecularFormula: C13H14O2
MolecularWeight: 202.2491
MdlNumber: MFCD00111717
Smiles: O=C1CC(CC(=O)C1)c1ccc(cc1)C
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AG66185
ChemicalName:
5-(4-Methylphenyl)cyclohexane-1,3-dione
CasNumber:
61888-37-7
MolecularFormula:
C13H14O2
MolecularWeight:
202.2491
MdlNumber:
MFCD00111717
Smiles:
O=C1CC(CC(=O)C1)c1ccc(cc1)C
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: __
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MolecularWeight: __
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Smiles: Cc1ccc(cc1C)c1oc2c(n1)c(Br)c(c(c2)Br)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
Cc1ccc(cc1C)c1oc2c(n1)c(Br)c(c(c2)Br)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
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Smiles: CCC(NS(=O)(=O)c1ccc(cc1)N)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCC(NS(=O)(=O)c1ccc(cc1)N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: Nc1n[nH]c(c1c1ccccc1)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Nc1n[nH]c(c1c1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__