Cas no 19860-56-1 (Propanoic acid,2,3-dihydroxy-2-methyl-, methyl ester)
19860-56-1 structure
Product Name:Propanoic acid,2,3-dihydroxy-2-methyl-, methyl ester
CAS No:19860-56-1
MF:C5H10O4
MW:134.130502223969
CID:164807
PubChem ID:152265
Update Time:2025-04-19
Propanoic acid,2,3-dihydroxy-2-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2,3-dihydroxy-2-methyl-, methyl ester
- methyl 2,3-dihydroxy-2-methylpropanoate
- methyl 2-methylglycerate
- 2-Methylglyceric acid methyl ester
- SCHEMBL1964305
- Propanoic acid, 2,3-dihydroxy-2-methyl-, methyl ester
- FT-0703088
- FT-0667132
- AKOS013795042
- 19860-56-1
- DTXSID70941698
-
- Inchi： 1S/C5H10O4/c1-5(8,3-6)4(7)9-2/h6,8H,3H2,1-2H3
- InChI Key： LDZHNDDCTKHCFG-UHFFFAOYSA-N
- SMILES： OC(C(=O)OC)(C)CO
Computed Properties
- Exact Mass: 134.0579
- Monoisotopic Mass: 134.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 112
- 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: 66.8?2
Experimental Properties
- Density: 1.1850
- Boiling Point: 167.23°C (rough estimate)
- Refractive Index: 1.4438 (estimate)
- PSA: 66.76
Propanoic acid,2,3-dihydroxy-2-methyl-, methyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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