AB44135
39207-65-3 | 2-Isobutyrylcyclohexanone
Manufacturer: A2B Chem
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CatalogNumber
AB44135
ChemicalName
2-Isobutyrylcyclohexanone
CasNumber
39207-65-3
MolecularFormula
C10H16O2
MolecularWeight
168.2328
MdlNumber
MFCD00466185
Smiles
O=C1CCCCC1C(=O)C(C)C
Complexity
194
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AB44135
ChemicalName: 2-Isobutyrylcyclohexanone
CasNumber: 39207-65-3
MolecularFormula: C10H16O2
MolecularWeight: 168.2328
MdlNumber: MFCD00466185
Smiles: O=C1CCCCC1C(=O)C(C)C
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AB44135
ChemicalName:
2-Isobutyrylcyclohexanone
CasNumber:
39207-65-3
MolecularFormula:
C10H16O2
MolecularWeight:
168.2328
MdlNumber:
MFCD00466185
Smiles:
O=C1CCCCC1C(=O)C(C)C
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
CatalogNumber: AB44136
ChemicalName: 6-Phenyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
CasNumber: 36822-11-4
MolecularFormula: C10H8N2OS
MolecularWeight: 204.2483
MdlNumber: MFCD00059166
Smiles: Oc1nc(S)nc(c1)c1ccccc1
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.3
CatalogNumber:
AB44136
ChemicalName:
6-Phenyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
CasNumber:
36822-11-4
MolecularFormula:
C10H8N2OS
MolecularWeight:
204.2483
MdlNumber:
MFCD00059166
Smiles:
Oc1nc(S)nc(c1)c1ccccc1
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Sc1nc2c([nH]1)cccc2
Complexity: 142
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Sc1nc2c([nH]1)cccc2
Complexity:
142
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Sc1nc2c(s1)cccc2
Complexity: 158
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Sc1nc2c(s1)cccc2
Complexity:
158
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4