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757219-24-2 | Hexanoic acid, 3-hydroxy-3-methyl-, (3R)-
CAS No: 757219-24-2 Catalog No: AG005IQY MDL No:
Product Description
Catalog Number:
AG005IQY
Chemical Name:
Hexanoic acid, 3-hydroxy-3-methyl-, (3R)-
CAS Number:
757219-24-2
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
IUPAC Name:
(3R)-3-hydroxy-3-methylhexanoic acid
InChI:
InChI=1S/C7H14O3/c1-3-4-7(2,10)5-6(8)9/h10H,3-5H2,1-2H3,(H,8,9)/t7-/m1/s1
InChI Key:
RGRNSTGIHROKJB-SSDOTTSWSA-N
SMILES:
CCC[C@](CC(=O)O)(O)C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
146.094g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Gender-specific differences between the concentrations of nonvolatile (R)/(S)-3-methyl-3-sulfanylhexan-1-Ol and (R)/(S)-3-hydroxy-3-methyl-hexanoic acid odor precursors in axillary secretions. | Chemical senses 20090301 |
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