Calcium Acetate 97% Extrapure

CAT: 1278-00620 00500Size: 500 gDry Ice: NoHazardous: No

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CAT#:1278-00620 00500Size:500 g

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CAS Number

114460-21-8

HS Code

29152910

Packaging Group

Chemical Information

Calcium acetate monohydrate

Calcium acetate monohydrate is the monohydrate of calcium acetate. It has a role as a chelator. It contains a calcium acetate.

CAS Number	114460-21-8
PubChem CID	82163
IUPAC Name	calcium;diacetate;hydrate
Molecular Formula	C4H8CaO5
Molecular Weight	176.18
Topological Polar Surface Area	81.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	25

SMILES

CC(=O)[O-].CC(=O)[O-].O.[Ca+2]

InChI

InChI=1S/2C2H4O2.Ca.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+2;/p-2

InChIKey

XQKKWWCELHKGKB-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 114460-21-8

CID: 82163

Formula: C4H8CaO5

MW: 176.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.18
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	175.9997642
Monoisotopic Mass	175.9997642
Topological Polar Surface Area	81.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	25.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	4
Compound Is Canonicalized	Yes

Catalog	Name
01391 00001	Hydrocortisone Acetate 97% Extrapure
01391 00005	Hydrocortisone Acetate 97% Extrapure
00645 00500	Calcium Fluoride 97% Extrapure
00645 02500	Calcium Fluoride 97% Extrapure
02629 00005	Testosterone 97% Extrapure
00792 00100	Cholesterol 97% Extrapure
02629 00025	Testosterone 97% Extrapure
02682 00025	Thiomersal 97% Extrapure
00792 00025	Cholesterol 97% Extrapure
02682 00010	Thiomersal 97% Extrapure

Catalog	Name
62000500	Calcium Acetate 97% Extrapure
58056-01	Calcium Acetate Hydrate extrapure AR, 99%
71200500	Cellulose Acetate Extrapure
66305000	Calcium Stearate Extrapure
62300100	Calcium Carbide Extrapure
TSH-00183-01	Calcium acetate
0391D 02500	Benzyl Acetate 99% Extrapure
206300500	Potassium Acetate 99% Extrapure
45662-01	Cellulose Acetate Phthalate extrapure
93051-01	Naphthol-AS-Acetate extrapure, 99%