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Calcium oxalate monohydrate

CAT: 0926-FC179500-01Size: 5 KgDry Ice: NoHazardous: No
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CAT#:0926-FC179500-01Size:5 Kg
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CAS Number
5794-28-5
Smiles
C (=O) (C (=O) [O-]) [O-].O.[Ca+2]
Molecular Formula
C2H2O4•Ca•H2O
Molecular Weight
148.13 g/mol
Controlled
No

Chemical Information

Calcium Oxalate Monohydrate

See also: Calcium Cation (has active moiety); Para-BN (FDA NDC: 64616-102) (component of); Celltem (FDA NDC: 75053-0003) (component of) ... View More ...

CAS Number5794-28-5
PubChem CID165350
IUPAC Namecalcium;oxalate;hydrate
Molecular FormulaC2H2CaO5
Molecular Weight146.11
Topological Polar Surface Area81.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity60
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
InChIKey
LQHWSGSWNOHVHO-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Calcium Oxalate Monohydrate
CAS: 5794-28-5
CID: 165350
Formula: C2H2CaO5
MW: 146.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.11
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass145.9528140
Monoisotopic Mass145.9528140
Topological Polar Surface Area81.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity60.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-M03434-01Calcium oxalate monohydrate
0658B 01000Calcium Oxalate Monohydrate 98% Extrapure
P0774Potassium oxalate, monohydrate
AB0070Ammonium oxalate monohydrate
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