Cas no 19944-53-7 (Benzeneacetic acid, a-hydroxy-, calcium salt (2:1), (aS)-)
19944-53-7 structure
Product Name:Benzeneacetic acid, a-hydroxy-, calcium salt (2:1), (aS)-
CAS No:19944-53-7
MF:C16H14CaO6
MW:342.356764316559
CID:192489
PubChem ID:29866
Update Time:2025-04-19
Benzeneacetic acid, a-hydroxy-, calcium salt (2:1), (aS)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-hydroxy-, calcium salt (2:1), (aS)-
- calcium,2-hydroxy-2-phenylacetate,(2S)-2-hydroxy-2-phenylacetate
- L-(+)-CALCIUMMANDELATE
- L-(+)-Mandelic acid calcium salt
- Mandelic acid, calcium salt (2:1), L-(+)-
- calcium;2-hydroxy-2-phenylacetate;(2S)-2-hydroxy-2-phenylacetate
- 19944-53-7
-
- 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/t7-;;/m0../s1
- InChI Key： GCXSYHGQGJCRRW-KLXURFKVSA-L
- SMILES： [Ca+2].O[C@H](C(=O)[O-])C1C=CC=CC=1.OC(C(=O)[O-])C1C=CC=CC=1
Computed Properties
- Exact Mass: 342.041629
- Monoisotopic Mass: 342.041629
- 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: 1
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 121
Experimental Properties
- Density: g/cm3
- Boiling Point: 321.8°Cat760mmHg
- Flash Point: 162.6°C
Benzeneacetic acid, a-hydroxy-, calcium salt (2:1), (aS)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
19944-53-7 (Benzeneacetic acid, a-hydroxy-, calcium salt (2:1), (aS)-) 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)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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