Cas no 533-90-4 (calcium isobutyrate)
calcium isobutyrate structure
Product Name:calcium isobutyrate
calcium isobutyrate Chemical and Physical Properties
Names and Identifiers
-
- calcium isobutyrate
- calcium,2-methylpropanoate
- CALCIUM-ISO-BUTYRATE,PURIFIED
- AC1L2FJ1
- AR-1I1551
- calcium bis(2-methylpropanoate)
- Calcium diisobutyrate
- CTK4J7849
- EINECS 208-579-3
- calcium;2-methylpropanoate
- DB-052326
- DTXSID50201449
- NS00079879
- SCHEMBL122195
- 533-90-4
-
- Inchi： 1S/2C4H8O2.Ca/c2*1-3(2)4(5)6;/h2*3H,1-2H3,(H,5,6);/q;;+2/p-2
- InChI Key： BVTQVYBMHFSYPL-UHFFFAOYSA-L
- SMILES： [Ca+2].[O-]C(C(C)C)=O.[O-]C(C(C)C)=O
Computed Properties
- Exact Mass: 214.05200
- Monoisotopic Mass: 214.0517998g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 51.1
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.3?2
Experimental Properties
- PSA: 52.60000
- LogP: 1.29980
calcium isobutyrate Related Literature
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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