Cas no 55553-86-1 (potassium 3-methylbutan-2-olate)
55553-86-1 structure
Product Name:potassium 3-methylbutan-2-olate
CAS No:55553-86-1
MF:C5H11KO
MW:126.238542795181
CID:944129
PubChem ID:23689002
Update Time:2025-04-19
potassium 3-methylbutan-2-olate Chemical and Physical Properties
Names and Identifiers
-
- potassium 3-methylbutan-2-olate
- 2-Butanol, 3-methyl-, potassium salt
- 2-Butanol, 3-methyl-, potassium salt (1:1)
- 55553-86-1
- DMERGXDBCIXRCA-UHFFFAOYSA-N
- NS00088054
- DTXSID20890844
- EINECS 259-705-9
- SCHEMBL3285879
-
- Inchi: 1S/C5H11O.K/c1-4(2)5(3)6;/h4-5H,1-3H3;/q-1;+1
- InChI Key: DMERGXDBCIXRCA-UHFFFAOYSA-N
- SMILES: [K+].[O-]C(C)C(C)C
Computed Properties
- Exact Mass: 126.04473
- Monoisotopic Mass: 126.04469645g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 37.1
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 23.1?2
Experimental Properties
- PSA: 23.06
potassium 3-methylbutan-2-olate Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
55553-86-1 (potassium 3-methylbutan-2-olate) Related Products
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