Basic information
- CAS
533-90-4- Standard SMILES
CC(C)C(=O)[O-].CC(C)C(=O)[O-].[Ca+2]- InChIKey
BVTQVYBMHFSYPL-UHFFFAOYSA-L- Molecular formula
- C8H14CaO4
- Average molar mass
- 214.27 g/mol
- Monoisotopic mass
- 214.0517998
Names & identifiers
- Preferred name
- Isobutyric acid, calcium salt
- IUPAC
- calcium bis(2-methylpropanoate)
Names & synonyms
isobutyric acid, calcium saltRefChem:122825Calcium diisobutyrate533-90-4CALCIUM ISOBUTYRATEcalcium bis(2-methylpropanoate)EINECS 208-579-3calcium;2-methylpropanoateSCHEMBL122195DTXSID50201449DB-052326NS00079879
Database identifiers
- CAS
533-90-4- PubChem CID
- 71093
- DTXSID
DTXSID50201449- EC Number
- 208-579-3
- Nikkaji
- J188.376C
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 51.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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