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583-59-5 | 2-Methylcyclohexanol
CAS No: 583-59-5 Catalog No: AG003B98 MDL No:MFCD00001443
Product Description
Catalog Number:
AG003B98
Chemical Name:
2-Methylcyclohexanol
CAS Number:
583-59-5
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
MDL Number:
MFCD00001443
IUPAC Name:
2-methylcyclohexan-1-ol
InChI:
InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3
InChI Key:
NDVWOBYBJYUSMF-UHFFFAOYSA-N
SMILES:
CC1CCCCC1O
RTECS Number:
GW0220000
UN Number:
2617
Properties
Complexity:
70.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.104g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.188g/mol
Monoisotopic Mass:
114.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and carbonic anhydrase inhibitory properties of novel cyclohexanonyl bromophenol derivatives. | Bioorganic & medicinal chemistry letters 20120201 |
| Fragment-based screen against HIV protease. | Chemical biology & drug design 20100301 |
| Biotransformation of (+/-)-2-methylcyclohexanone by fungi. | Biotechnology letters 20080901 |
| Stereoselective carveol dehydrogenase from Rhodococcus erythropolis DCL14. A novel nicotinoprotein belonging to the short chain dehydrogenase/reductase superfamily. | The Journal of biological chemistry 19990910 |
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