Cas no 130486-85-0 (2-Heptanone,7-hydroxy-6-methyl-, (6S)-)
130486-85-0 structure
Product Name:2-Heptanone,7-hydroxy-6-methyl-, (6S)-
CAS No:130486-85-0
MF:C8H16O2
MW:144.211442947388
CID:102603
PubChem ID:14078300
Update Time:2025-04-18
2-Heptanone,7-hydroxy-6-methyl-, (6S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptanone,7-hydroxy-6-methyl-, (6S)-
- 2-Heptanone, 7-hydroxy-6-methyl-, (S)- (9CI)
- (6S)-7-Hydroxy-6-methylheptan-2-one
- SCHEMBL2400711
- 130486-85-0
-
- Inchi： 1S/C8H16O2/c1-7(6-9)4-3-5-8(2)10/h7,9H,3-6H2,1-2H3/t7-/m0/s1
- InChI Key： GWRSINQMTFUHBY-ZETCQYMHSA-N
- SMILES： OC[C@@H](C)CCCC(C)=O
Computed Properties
- Exact Mass: 144.11508
- Monoisotopic Mass: 144.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 99.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Heptanone,7-hydroxy-6-methyl-, (6S)- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
130486-85-0 (2-Heptanone,7-hydroxy-6-methyl-, (6S)-) Related Products
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