Cas no 2570-90-3 (2-methyl-6-oxo-heptanoic acid methyl ester)
2570-90-3 structure
Product Name:2-methyl-6-oxo-heptanoic acid methyl ester
2-methyl-6-oxo-heptanoic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-6-oxo-heptanoic acid methyl ester
- Methyl 2-methyl-6-oxoheptanoate
- 2-methyl-6-oxoheptanoic acid methyl ester
- 2-Methyl-6-oxo-heptansaeure-methylester
- 6-oxo-2-methyl-heptanoic acid methyl ester
- AC1LBNTA
- AG-K-94548
- CTK0I6564
- Heptanoic acid, 2-methyl-6-oxo-, methyl ester
- Methyl 2-methyl-6-oxo-heptanoate
- SCHEMBL2400089
- 2570-90-3
- Methyl 2-methyl-6-oxoheptanoate #
- DTXSID60337147
- AKOS006288852
-
- Inchi： 1S/C9H16O3/c1-7(9(11)12-3)5-4-6-8(2)10/h7H,4-6H2,1-3H3
- InChI Key： HFLTZADIZWIVCK-UHFFFAOYSA-N
- SMILES： O(C)C(C(C)CCCC(C)=O)=O
Computed Properties
- Exact Mass: 172.109944368g/mol
- Monoisotopic Mass: 172.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 163
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 43.4?2
2-methyl-6-oxo-heptanoic acid methyl ester Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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