chempirical

Calcium oxalate monohydrate

C2H2CaO5CAS 5794-28-5146.11 g/mol

Open in Covalent MOL file
OOO−O−H2OCa2+
Carboxylic acid

Properties

Molecular formula
C2H2CaO5
Molar mass
146.11 g/mol
Exact mass
145.9528 Da
Density
2.12 g/mL (at 25 °C)
logP
-4.72Crippen estimate
Polar surface area
111.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
5794-28-5
SMILES
C(=O)(C(=O)[O-])[O-].O.[Ca+2]
InChIKey
LQHWSGSWNOHVHO-UHFFFAOYSA-L
InChI
InChI=1S/C2H2O4.Ca.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2/q;+2;/p-2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Work with Calcium oxalate monohydrate

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.

Ethanedioic acid hydrate (1:2)6153-56-6Hydrate Calcium oxalate (1:1)563-72-4Anhydrous Oxalic acid144-62-7Free acid Iron(II) oxalate516-03-0Salt Copper oxalate814-91-5Salt Ferric ammonium oxalate14221-47-7Salt Silver oxalate533-51-7Salt Potassium hydrogenoxalate127-95-7Salt Tin(II) oxalate814-94-8Salt Sodium oxalate62-76-0Salt Lead(II) oxalate814-93-7Salt Ammonium oxalate1113-38-8Salt

Similar compounds

Calcium pyruvate52009-14-050 % similar Calcium acetate monohydrate5743-26-050 % similar α-Ketovaline calcium salt51828-94-544 % similar (Ethanedioato(2-)-kappaO1,kappaO2)oxovanadium15500-04-643 % similar Calcium carbonate471-34-142 % similar Calcium D-saccharate tetrahydrate5793-89-541 % similar Calcium 2-oxoglutarate71686-01-641 % similar Calcium α-ketoisocaproate51828-95-639 % similar

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

Elsewhere

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