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123065-56-5 | 3-Heptanone, 6-hydroxy-6-methyl-
CAS No: 123065-56-5 Catalog No: AG000K1D MDL No:
Product Description
Catalog Number:
AG000K1D
Chemical Name:
3-Heptanone, 6-hydroxy-6-methyl-
CAS Number:
123065-56-5
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
IUPAC Name:
6-hydroxy-6-methylheptan-3-one
InChI:
InChI=1S/C8H16O2/c1-4-7(9)5-6-8(2,3)10/h10H,4-6H2,1-3H3
InChI Key:
FGPMBONEKHYAHO-UHFFFAOYSA-N
SMILES:
CCC(=O)CCC(O)(C)C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Analysis of male pheromones that accelerate female reproductive organ development. | PloS one 20110101 |
| Simultaneously hermaphroditic shrimp use lipophilic cuticular hydrocarbons as contact sex pheromones. | PloS one 20110101 |
| Urinary volatile compounds as biomarkers for lung cancer: a proof of principle study using odor signatures in mouse models of lung cancer. | PloS one 20100101 |
| The identification of attractive volatiles in aged male mouse urine. | Chemical senses 20081101 |
| Sex- and gonad-affecting scent compounds and 3 male pheromones in the rat. | Chemical senses 20080901 |
| Syntheses of 2-Isopropyl-4,5-dihydrothiazole and 6-Hydroxy-6-methyl-3-heptanone, pheromone components of the male mouse, Mus musculus. | Bioscience, biotechnology, and biochemistry 20080901 |
| Putative chemical signals about sex, individuality, and genetic background in the preputial gland and urine of the house mouse (Mus musculus). | Chemical senses 20070301 |
| Quantitative analysis of mouse urine volatiles: in search of MHC-dependent differences. | PloS one 20070101 |
| Thermodynamic consequences of disrupting a water-mediated hydrogen bond network in a protein:pheromone complex. | Protein science : a publication of the Protein Society 20050101 |
| Taste and pheromone perception in mammals and flies. | Genome biology 20030101 |
| Pheromone binding by polymorphic mouse major urinary proteins. | Protein science : a publication of the Protein Society 20020901 |
| Structural basis of pheromone binding to mouse major urinary protein (MUP-I). | Protein science : a publication of the Protein Society 20010501 |
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