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1612-98-2 | 1,3-Cyclohexanediol, 1-methyl-4-(1-methylethyl)-
CAS No: 1612-98-2 Catalog No: AG001S97 MDL No:
Product Description
Catalog Number:
AG001S97
Chemical Name:
1,3-Cyclohexanediol, 1-methyl-4-(1-methylethyl)-
CAS Number:
1612-98-2
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
IUPAC Name:
1-methyl-4-propan-2-ylcyclohexane-1,3-diol
InChI:
InChI=1S/C10H20O2/c1-7(2)8-4-5-10(3,12)6-9(8)11/h7-9,11-12H,4-6H2,1-3H3
InChI Key:
IIZCEIWXLSJQFP-UHFFFAOYSA-N
SMILES:
CC(C1CCC(CC1O)(C)O)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Biopreparation of (-)-(1S,3R,4S,6S)-6-hydroxymenthol and (-)-(1S,3R,4S)-1-hydroxymenthol from 1-menthol by Rhizoctonia solani AG-1-IA and IB. | Natural product research 20031001 |
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