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Name |
Calcium 2-hydroxypropanoate |
EINECS | N/A |
CAS No. | 63690-56-2 | Density | N/A |
PSA | 60.36000 | LogP | -1.88290 |
Solubility | N/A | Melting Point |
N/A |
Formula | C3H5CaO3+ | Boiling Point | 227.6 °C at 760 mmHg |
Molecular Weight | 308.296 | Flash Point | 109.9 °C |
Transport Information | N/A | Appearance | white crystalline powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
calcium lactate trihydrate; |
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