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818-49-5 | 4-METHYL-1-HEXANOL
CAS No: 818-49-5 Catalog No: AG005HTK MDL No:MFCD02258696
Product Description
Catalog Number:
AG005HTK
Chemical Name:
4-METHYL-1-HEXANOL
CAS Number:
818-49-5
Molecular Formula:
C7H16O
Molecular Weight:
116.2013
MDL Number:
MFCD02258696
IUPAC Name:
4-methylhexan-1-ol
InChI:
InChI=1S/C7H16O/c1-3-7(2)5-4-6-8/h7-8H,3-6H2,1-2H3
InChI Key:
YNPVNLWKVZZBTM-UHFFFAOYSA-N
SMILES:
OCCCC(CC)C
NSC Number:
109153
Properties
Complexity:
43.7
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:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Recent progress in synthetic biology for microbial production of C3-C10 alcohols. | Frontiers in microbiology 20120101 |
| Enantioselective analysis of methyl-branched alcohols and acids in rhubarb (Rheum rhabarbarum L.) stalks. | Journal of agricultural and food chemistry 20031119 |
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