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CAS No.: | 26257-13-6 |
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Name: | GLYCOLIC ACID CALCIUM SALT |
Molecular Structure: | |
Formula: | C4H6CaO6 |
Molecular Weight: | 190.1648 |
Synonyms: | calcium 2-hydroxyacetate; |
Boiling Point: | 265.6 °C at 760 mmHg |
Flash Point: | 128.7 °C |
PSA: | 120.72000 |
LogP: | -4.54280 |
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The Glycolic acid, calcium salt is an organic compound with the formula C4H6CaO6. The IUPAC name of this chemical is calcium 2-hydroxyacetate. With the CAS registry number 26257-13-6, it is also named as Calcium glycolate. The product's categories are Ca (Calcium) Compounds; Classes of Metal Compounds; Typical Metal Compounds.
Physical properties about Glycolic acid, calcium salt are: (1)ACD/LogP: -1.05; (2)ACD/LogD (pH 5.5): -3.22; (3)ACD/LogD (pH 7.4): -4.63; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 46.53 Å2; (12)Flash Point: 128.7 °C; (13)Enthalpy of Vaporization: 58.47 kJ/mol; (14)Boiling Point: 265.6 °C at 760 mmHg; (15)Vapour Pressure: 0.00125 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].O=C([O-])CO.[O-]C(=O)CO
(2)InChI: InChI=1/2C2H4O3.Ca/c2*3-1-2(4)5;/h2*3H,1H2,(H,4,5);/q;;+2/p-2
(3)InChIKey: CHRHZFQUDFAQEQ-NUQVWONBAS
(4)Std. InChI: InChI=1S/2C2H4O3.Ca/c2*3-1-2(4)5;/h2*3H,1H2,(H,4,5);/q;;+2/p-2
(5)Std. InChIKey: CHRHZFQUDFAQEQ-UHFFFAOYSA-L