Cas no 69821-00-7 (Propanoic acid, 2,3-dihydroxy-2-methyl-, ethyl ester, (R)-)
69821-00-7 structure
Product Name:Propanoic acid, 2,3-dihydroxy-2-methyl-, ethyl ester, (R)-
CAS No:69821-00-7
MF:C6H12O4
MW:148.157082557678
CID:391277
PubChem ID:53737198
Update Time:2025-04-19
Propanoic acid, 2,3-dihydroxy-2-methyl-, ethyl ester, (R)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2,3-dihydroxy-2-methyl-, ethyl ester, (R)-
- ethyl (2R)-2,3-dihydroxy-2-methylpropanoate
- SCHEMBL11487636
- ethyl (R)-2,3-dihydroxy-2-methyl-propionate
- DTXSID70706305
- ethyl (R)-2,3-dihydroxy-2-methylpropionate
- CSAJBPPQDTYLCZ-ZCFIWIBFSA-N
- ethyl (R)-2,3dihydroxy-2-methylpropionate
- 69821-00-7
-
- Inchi： 1S/C6H12O4/c1-3-10-5(8)6(2,9)4-7/h7,9H,3-4H2,1-2H3/t6-/m1/s1
- InChI Key： CSAJBPPQDTYLCZ-ZCFIWIBFSA-N
- SMILES： O[C@](C(=O)OCC)(C)CO
Computed Properties
- Exact Mass: 148.07356
- Monoisotopic Mass: 148.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 123
- 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: 66.8?2
Experimental Properties
- PSA: 66.76
Propanoic acid, 2,3-dihydroxy-2-methyl-, ethyl ester, (R)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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