Calcium oxalate monohydrate

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Catalog Number
ACM5794285-1
Product Name
Calcium oxalate monohydrate
Structure
Structure
CAS
5794-28-5
Category
Heterocyclic Organic Compound
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
Density
2.12
Appearance
Powder
Exact Mass
145.952814
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
5
H-Bond Donor
1
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
1
Monoisotopic Mass
145.952814
Packing Group
III
Rotatable Bond Count
0
Safety Description
24/25
Topological Polar Surface Area
81.3 Ų
WGK Germany
3
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