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Calcium 2-hydroxypropanoate

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Name

Calcium 2-hydroxypropanoate

EINECS
CAS No. 63690-56-2 Density
PSA 60.36000 LogP -1.88290
Solubility Melting Point
Formula C3H5CaO3+ Boiling Point 227.6 °C at 760 mmHg
Molecular Weight 129.1475 Flash Point 109.9 °C
Transport Information Appearance white crystalline powder
Safety Risk Codes
Molecular Structure Molecular Structure of 63690-56-2 (calcium 2-hydroxypropanoate) Hazard Symbols
Synonyms

calcium lactate trihydrate;

 

Calcium 2-hydroxypropanoate Specification

The Calcium 2-hydroxypropanoate with the CAS number 63690-56-2 is also called calcium lactate trihydrate. The systematic name is propanoate, 2-hydroxy-, calcium salt (1:1). Its molecular formula is C3H5CaO3+. Thus chemical should be stored in dry and cool environment.

The properties of the Calcium 2-hydroxypropanoate are: (1)ACD/LogP: -0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.76; (4)ACD/LogD (pH 7.4): -4.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.53 Å2; (13)Enthalpy of Vaporization: 53.96 kJ/mol; (14)Vapour Pressure: 0.015 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[O-]C(=O)C(O)C
(2)InChI: InChI=1/C3H6O3.Ca/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+2/p-1
(3)InChIKey: YDKLBKYACZTDNM-REWHXWOFAE

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