Cas no 313223-00-6 (Sodium;2-hydroxypentanoate;hydrate)
313223-00-6 structure
Product Name:Sodium;2-hydroxypentanoate;hydrate
CAS No:313223-00-6
MF:C5H11NaO4
MW:158.128213167191
CID:300929
Update Time:2023-08-02
Sodium;2-hydroxypentanoate;hydrate Chemical and Physical Properties
Names and Identifiers
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- Pentanoic acid,2-hydroxy-, sodium salt, hydrate (1:1:1)
- 2-Hydroxyvaleric acid sodium salt hydrate
- Sodium 2-hydroxypentanoate hydrate
- Sodium 2-hydroxypentanoate xhydrate
- Sodium;2-hydroxypentanoate;hydrate
-
- Inchi： 1S/C5H10O3.Na.H2O/c1-2-3-4(6)5(7)8;;/h4,6H,2-3H2,1H3,(H,7,8);;1H2/q;+1;/p-1
- InChI Key： QNQSTKDKWIHIRQ-UHFFFAOYSA-M
- SMILES： [Na+].OC(C(=O)[O-])CCC.O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 84.3
- Topological Polar Surface Area: 61.4
Sodium;2-hydroxypentanoate;hydrate Related Literature
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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