Cas no 208117-20-8 (Butanoic acid, 2-hydroxy-2-methyl-, methyl ester, (2S)-)
208117-20-8 structure
Product Name:Butanoic acid, 2-hydroxy-2-methyl-, methyl ester, (2S)-
CAS No:208117-20-8
MF:C6H12O3
MW:132.157682418823
CID:1396196
PubChem ID:53807764
Update Time:2025-04-20
Butanoic acid, 2-hydroxy-2-methyl-, methyl ester, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-hydroxy-2-methyl-, methyl ester, (2S)-
- methyl (2S)-2-hydroxy-2-methylbutanoate
- Methyl (S)-2-hydroxy-2-methylbutanoate
- 208117-20-8
- SCHEMBL3827004
- DTXSID80706811
-
- Inchi： 1S/C6H12O3/c1-4-6(2,8)5(7)9-3/h8H,4H2,1-3H3/t6-/m0/s1
- InChI Key： FMXYCZVOMYLMKM-LURJTMIESA-N
- SMILES： O[C@@](C(=O)OC)(C)CC
Computed Properties
- Exact Mass: 132.07866
- Monoisotopic Mass: 132.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 111
- 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: 0.6
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Butanoic acid, 2-hydroxy-2-methyl-, methyl ester, (2S)- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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