chempirical

Calcium propanoate

C6H10CaO4CAS 4075-81-4186.22 g/mol

Open in Covalent MOL file
O−OO−OCa2+
Carboxylic acid

Properties

Molecular formula
C6H10CaO4
Molar mass
186.22 g/mol
Exact mass
186.0205 Da
logP
0.10Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
4075-81-4
SMILES
CCC([O-])=O.CCC([O-])=O.[Ca+2]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

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Names and synonyms

7 names
  • Propanoic acid, calcium salt (2:1)
  • Propionic acid, calcium salt
  • Propanoic acid, calcium salt
  • Calcium propionate
  • Bioban-C
  • Calcium dipropionate
  • Di(propanoyloxy)calcium

Work with Calcium propanoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Propionic acid79-09-4Free acid Sodium propionate137-40-6Salt Ammonium propionate17496-08-1Salt Potassium propanoate327-62-8Salt Imidocarb dipropionate55750-06-6Salt Zinc propionate557-28-8Salt

Similar compounds

Calcium butyrate5743-36-258 % similar Calcium stearate1592-23-050 % similar Calcium glycinate35947-07-050 % similar Calcium thioglycolate814-71-150 % similar Calcium levulinate591-64-048 % similar Calcium β-hydroxy-β-methylbutyrate135236-72-545 % similar Edetate calcium disodium anhydrous62-33-941 % similar Calcium 2-oxoglutarate71686-01-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia