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Calcium glycolate - 95%, high purity , CAS No.26257-13-6
Basic Description
Synonyms
Calcium glycolate | calcium bis(2-hydroxyacetate) | NSC 220251 | DTXSID50890534 | 9W192E4Y74 | G0200 | UNII-9W192E4Y74 | Acetic acid, hydroxy-, calcium salt (2:1) | Calcium bis(hydroxyacetate) | GLYCOLIC ACID, CALCIUM SALT | D90726 | calcium2-hydroxyaceta
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Carboxylic acid salts
Alternative Parents
Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Carboxylic acid salt - Organic calcium salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
calcium;2-hydroxyacetate
INCHI
InChI=1S/2C2H4O3.Ca/c2*3-1-2(4)5;/h2*3H,1H2,(H,4,5);/q;;+2/p-2
InChIKey
CHRHZFQUDFAQEQ-UHFFFAOYSA-L
Smiles
C(C(=O)[O-])O.C(C(=O)[O-])O.[Ca+2]
Isomeric SMILES
C(C(=O)[O-])O.C(C(=O)[O-])O.[Ca+2]
Molecular Weight
190.16
Reaxy-Rn
3914912
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3914912&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
190.160 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
0
Exact Mass
189.979 Da
Monoisotopic Mass
189.979 Da
Topological Polar Surface Area
121.000 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
34.600
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
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C2311874