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597-96-6 | 3-METHYL-3-HEXANOL
CAS No: 597-96-6 Catalog No: AG003JPN MDL No:
Product Description
Catalog Number:
AG003JPN
Chemical Name:
3-METHYL-3-HEXANOL
CAS Number:
597-96-6
IUPAC Name:
3-methylhexan-3-ol
InChI:
InChI=1S/C7H16O/c1-4-6-7(3,8)5-2/h8H,4-6H2,1-3H3
InChI Key:
KYWJZCSJMOILIZ-UHFFFAOYSA-N
EC Number:
209-910-4
NSC Number:
27229
Properties
Complexity:
61.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.12g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.204g/mol
Monoisotopic Mass:
116.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| A comparison of lipase-catalysed ester and lactone synthesis in low-water systems: analysis of optimum water activity. | Biotechnology and bioengineering 20020320 |
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