Cas no 134-95-2 (Benzeneacetic acid, a-hydroxy-, calcium salt (2:1))
134-95-2 structure
Product Name:Benzeneacetic acid, a-hydroxy-, calcium salt (2:1)
Benzeneacetic acid, a-hydroxy-, calcium salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-hydroxy-, calcium salt (2:1)
- CALCIUM MANDELATE
- calcium,2-hydroxy-2-phenylacetate
- (+-)-mandelic acid,calcium salt
- (+-)-Mandelsaeure,Calcium-Salz
- calcium bis[hydroxy(phenyl)acetate]
- Calcium dimandelate
- calcium(2+) dimandelate
- UNII-29CS07FZII
- Dimandelic acid calcium
- DL-MANDELIC ACID CALCIUM SALT
- Bis(α-hydroxybenzeneacetic acid)calcium salt
- Bis(2-hydroxy-2-phenylacetic acid)calcium salt
- Calcium; 2-hydroxy-2-phenylacetate;(2S)-2-hydroxy-2-phenylacetate
- EINECS 205-165-4
- 134-95-2
- SCHEMBL1680816
- Mandelic acid calcium salt
- Mandelate calcium
- NS00079106
- calcium;2-hydroxy-2-phenylacetate
- Calcium mandelate [USP]
- DTXSID30928384
- MANDELATE CALCIUM [WHO-DD]
- Q27254417
- 29CS07FZII
- MANDELIC ACID CALCIUM SALT [MI]
- CHEMBL2104215
-
- Inchi： 1S/2C8H8O3.Ca/c2*9-7(8(10)11)6-4-2-1-3-5-6;/h2*1-5,7,9H,(H,10,11);/q;;+2/p-2
- InChI Key： GCXSYHGQGJCRRW-UHFFFAOYSA-L
- SMILES： [Ca+2].OC(C(=O)[O-])C1C=CC=CC=1.OC(C(=O)[O-])C1C=CC=CC=1
Computed Properties
- Exact Mass: 342.04200
- Monoisotopic Mass: 342.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 133
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 121A^2
Experimental Properties
- Boiling Point: 321.8°Cat760mmHg
- Flash Point: 162.6°C
- PSA: 93.06000
- LogP: 1.45500
Benzeneacetic acid, a-hydroxy-, calcium salt (2:1) Related Literature
-
Cecil W. Davies J. Chem. Soc. 1938 271
-
Fudi Zhong,Guannan Geng,Bing Chen,Ting Pan,Qianwen Li,Hui Zhang,Chuan Bai Org. Biomol. Chem. 2015 13 1792
-
William C. A. Wise,Cecil W. Davies J. Chem. Soc. 1938 273
-
Cecil W. Davies J. Chem. Soc. 1938 277
-
5. 523. Reaction-kinetic investigations of the incomplete dissociation of salts. Part III. The decomposition of nitramide in solutions of some metal salts of carboxylic acidsR. P. Bell,G. M. Waind J. Chem. Soc. 1951 2357
134-95-2 (Benzeneacetic acid, a-hydroxy-, calcium salt (2:1)) Related Products
- 17199-29-0((S)-(+)-Mandelic Acid)
- 18584-20-8(4-Methylmandelic Acid)
- 144371-23-3(2-Naphthaleneaceticacid, a-hydroxy-, (aS)-)
- 90-64-2(Mandelic acid)
- 611-71-2(D-(-)-Mandelic acid)
- 65148-70-1(2-hydroxy-2-(3-methylphenyl)acetic acid)
- 31284-89-6((R)-4-Methylmandelic Acid)
- 611-72-3(Mandelic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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