AL86937
89897-04-1 | 4-Hydroxy-3-methylcyclohexanone
Manufacturer: A2B Chem
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CatalogNumber
AL86937
ChemicalName
4-Hydroxy-3-methylcyclohexanone
CasNumber
89897-04-1
MolecularFormula
C7H12O2
MolecularWeight
128.169
MdlNumber
MFCD22494951
Smiles
O=C1CCC(C(C1)C)O
Complexity
120
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
UndefinedAtomStereocenterCount
2
Xlogp3
0.2
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CatalogNumber: AL86937
ChemicalName: 4-Hydroxy-3-methylcyclohexanone
CasNumber: 89897-04-1
MolecularFormula: C7H12O2
MolecularWeight: 128.169
MdlNumber: MFCD22494951
Smiles: O=C1CCC(C(C1)C)O
Complexity: 120
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: 2
Xlogp3: 0.2
CatalogNumber:
AL86937
ChemicalName:
4-Hydroxy-3-methylcyclohexanone
CasNumber:
89897-04-1
MolecularFormula:
C7H12O2
MolecularWeight:
128.169
MdlNumber:
MFCD22494951
Smiles:
O=C1CCC(C(C1)C)O
Complexity:
120
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
2
Xlogp3:
0.2
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: COCC(=S)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
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:
COCC(=S)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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UndefinedAtomStereocenterCount:
__
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Smiles: O=C=NCC(F)(F)F
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UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C=NCC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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Smiles: ClCCc1cncnc1
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCCc1cncnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__