AB45062
5432-85-9 | 4-Isopropylcyclohexanone
Manufacturer: A2B Chem
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CatalogNumber
AB45062
ChemicalName
4-Isopropylcyclohexanone
CasNumber
5432-85-9
MolecularFormula
C9H16O
MolecularWeight
140.2227
MdlNumber
MFCD00043479
Smiles
CC(C1CCC(=O)CC1)C
NscNumber
21125
Complexity
117
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AB45062
ChemicalName: 4-Isopropylcyclohexanone
CasNumber: 5432-85-9
MolecularFormula: C9H16O
MolecularWeight: 140.2227
MdlNumber: MFCD00043479
Smiles: CC(C1CCC(=O)CC1)C
NscNumber: 21125
Complexity: 117
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AB45062
ChemicalName:
4-Isopropylcyclohexanone
CasNumber:
5432-85-9
MolecularFormula:
C9H16O
MolecularWeight:
140.2227
MdlNumber:
MFCD00043479
Smiles:
CC(C1CCC(=O)CC1)C
NscNumber:
21125
Complexity:
117
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccc(cc1)O)C
NscNumber: __
Complexity: 90.9
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccc(cc1)O)C
NscNumber:
__
Complexity:
90.9
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: AB45064
ChemicalName: 4-Oxoheptanedioic acid
CasNumber: 502-50-1
MolecularFormula: C7H10O5
MolecularWeight: 174.1513
MdlNumber: MFCD00002798
Smiles: O=C(CCC(=O)O)CCC(=O)O
NscNumber: 16642
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
Xlogp3: -1.2
CatalogNumber:
AB45064
ChemicalName:
4-Oxoheptanedioic acid
CasNumber:
502-50-1
MolecularFormula:
C7H10O5
MolecularWeight:
174.1513
MdlNumber:
MFCD00002798
Smiles:
O=C(CCC(=O)O)CCC(=O)O
NscNumber:
16642
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
Xlogp3:
-1.2
CatalogNumber: AB45065
ChemicalName: 4-Mercaptobenzoic acid
CasNumber: 1074-36-8
MolecularFormula: C7H6O2S
MolecularWeight: 154.1863
MdlNumber: MFCD00016617
Smiles: OC(=O)c1ccc(cc1)S
NscNumber: 32022
Complexity: 128
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AB45065
ChemicalName:
4-Mercaptobenzoic acid
CasNumber:
1074-36-8
MolecularFormula:
C7H6O2S
MolecularWeight:
154.1863
MdlNumber:
MFCD00016617
Smiles:
OC(=O)c1ccc(cc1)S
NscNumber:
32022
Complexity:
128
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2.3