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58888-76-9 | 3-Methyl-3-hydroxyhexanoic acid
CAS No: 58888-76-9 Catalog No: AG0033R5 MDL No:MFCD07779366
Product Description
Catalog Number:
AG0033R5
Chemical Name:
3-Methyl-3-hydroxyhexanoic acid
CAS Number:
58888-76-9
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
MDL Number:
MFCD07779366
IUPAC Name:
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)
InChI Key:
RGRNSTGIHROKJB-UHFFFAOYSA-N
SMILES:
CCCC(CC(=O)O)(O)C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| The N-terminal amino acid of apolipoprotein D is putatively covalently bound to 3-hydroxy-3-methyl hexanoic acid, a key odour compound in axillary sweat. | International journal of cosmetic science 20110601 |
| A broad diversity of volatile carboxylic acids, released by a bacterial aminoacylase from axilla secretions, as candidate molecules for the determination of human-body odor type. | Chemistry & biodiversity 20060101 |
| Isolation of a bacterial enzyme releasing axillary malodor and its use as a screening target for novel deodorant formulations. | International journal of cosmetic science 20050401 |
| A specific bacterial aminoacylase cleaves odorant precursors secreted in the human axilla. | The Journal of biological chemistry 20030221 |
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