Cas no 62875-08-5 (1,2,3-Butanetriol, 3-methyl-)
1,2,3-Butanetriol, 3-methyl- structure
Product Name:1,2,3-Butanetriol, 3-methyl-
CAS No:62875-08-5
MF:C5H12O3
MW:120.146982192993
CID:429344
PubChem ID:13044596
Update Time:2025-04-19
1,2,3-Butanetriol, 3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Butanetriol, 3-methyl-
- 3-methylbutane-1,2,3-triol
- SCHEMBL283398
- QFZITDCVRJQLMZ-UHFFFAOYSA-N
- glycerol dimethylester
- 62875-08-5
- DTXSID50516141
- (RS)-3-methyl-1,2,3-butanetriol
-
- Inchi： 1S/C5H12O3/c1-5(2,8)4(7)3-6/h4,6-8H,3H2,1-2H3
- InChI Key： QFZITDCVRJQLMZ-UHFFFAOYSA-N
- SMILES： OC(C)(C)C(CO)O
Computed Properties
- Exact Mass: 120.07866
- Monoisotopic Mass: 120.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 70.1
- 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: -1.1
- Topological Polar Surface Area: 60.7?2
Experimental Properties
- PSA: 60.69
1,2,3-Butanetriol, 3-methyl- Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
62875-08-5 (1,2,3-Butanetriol, 3-methyl-) Related Products
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