Cas no 78640-99-0 ((2S)-2-hydroxy-2,3-dimethylbutanoic acid)
78640-99-0 structure
Product Name:(2S)-2-hydroxy-2,3-dimethylbutanoic acid
CAS No:78640-99-0
MF:C6H12O3
MW:132.157682418823
CID:1796229
PubChem ID:11147739
Update Time:2025-04-21
(2S)-2-hydroxy-2,3-dimethylbutanoic acid Chemical and Physical Properties
Names and Identifiers
-
- (2S)-2-hydroxy-2,3-dimethylbutanoic acid
- butanoic acid, 2-hydroxy-2,3-dimethyl-, (2S)-
- LogP
- AKOS005138014
- (S)-2-hydroxy-2,3-dimethylbutanoic acid
- AKOS006379400
- CS-0460186
- SCHEMBL1085851
- (S)-(+)-2,3-dimethyl-2-hydroxybutyric acid
- DTXSID40456825
- 78640-99-0
- JRQZJRDOZAJRTN-LURJTMIESA-N
-
- Inchi： 1S/C6H12O3/c1-4(2)6(3,9)5(7)8/h4,9H,1-3H3,(H,7,8)/t6-/m0/s1
- InChI Key： JRQZJRDOZAJRTN-LURJTMIESA-N
- SMILES： O[C@@](C(=O)O)(C)C(C)C
Computed Properties
- Exact Mass: 132.078644241g/mol
- Monoisotopic Mass: 132.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 120
- 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: 57.5?2
(2S)-2-hydroxy-2,3-dimethylbutanoic acid Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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