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13332-20-2 | Cyclohexanol, 4-methyl-, 1-acetate, cis-
CAS No: 13332-20-2 Catalog No: AG0014MK MDL No:
Product Description
Catalog Number:
AG0014MK
Chemical Name:
Cyclohexanol, 4-methyl-, 1-acetate, cis-
CAS Number:
13332-20-2
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
(4-methylcyclohexyl) acetate
InChI:
InChI=1S/C9H16O2/c1-7-3-5-9(6-4-7)11-8(2)10/h7,9H,3-6H2,1-2H3
InChI Key:
VJBFCCCTSQEGMH-UHFFFAOYSA-N
SMILES:
C[C@@H]1CC[C@@H](CC1)OC(=O)C
EC Number:
236-383-8
NSC Number:
52969
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Batch and continuous biodegradation of three model naphthenic acids in a circulating packed-bed bioreactor. | Journal of hazardous materials 20120130 |
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