Calcium oxalate monohydrate

Catalog Number	ACM5794285-1
CAS	5794-28-5
Structure
Synonyms	Calcium oxalate xhydrate
IUPAC Name	calcium oxalate hydrate
Molecular Weight	146.11
Molecular Formula	C2H2CaO5
Canonical SMILES	C(=O)(C(=O)[O-])[O-].O.[Ca+2]
InChI	InChI=1S/C2H2O4.Ca.H2O/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);1H2/q;+2;/p-2
InChI Key	LQHWSGSWNOHVHO-UHFFFAOYSA-L
Boiling Point	365.1ºC at 760 mmHg
Melting Point	200 °C
Flash Point	188.8ºC
Purity	98%
Density	2.12
Appearance	Powder
Exact Mass	145.952814
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Monoisotopic Mass	145.952814
Rotatable Bond Count	0
Topological Polar Surface Area	81.3 Ų