Cas no 52009-49-1 (Benzeneacetic acid,calcium salt (2:1))
52009-49-1 structure
Product Name:Benzeneacetic acid,calcium salt (2:1)
CAS No:52009-49-1
MF:C16H14CaO4
MW:310.357964038849
CID:378169
PubChem ID:104051
Update Time:2025-04-19
Benzeneacetic acid,calcium salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,calcium salt (2:1)
- Calcium bis(phenylacetate)
- calcium,2-phenylacetate
- DTXSID20199980
- SCHEMBL4446334
- EINECS 257-600-2
- NS00089701
- 52009-49-1
- calcium;2-phenylacetate
-
- Inchi： 1S/2C8H8O2.Ca/c2*9-8(10)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,9,10);/q;;+2/p-2
- InChI Key： XWSRCZGIHKNZFL-UHFFFAOYSA-L
- SMILES： [Ca+2].[O-]C(CC1C=CC=CC=1)=O.[O-]C(CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 310.05182
- Monoisotopic Mass: 310.052
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 109
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 80.3?2
Experimental Properties
- Melting Point: 76.5 deg C
- Boiling Point: 265.5 deg at 760 mm Hg
- PSA: 80.26
Benzeneacetic acid,calcium salt (2:1) Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
52009-49-1 (Benzeneacetic acid,calcium salt (2:1)) Related Products
- 621-36-3(m-Tolylacetic acid)
- 19806-17-8(2,2'-(1,3-Phenylene)diacetic Acid)
- 7325-46-4(1,4-Phenylenediacetic acid)
- 13005-36-2(Potassium Phenylacetate)
- 42288-46-0(3,5-Dimethylphenylacetic acid)
- 622-47-9(2-(p-tolyl)acetic acid)
- 14387-10-1(2-(4-Ethylphenyl)acetic acid)
- 4435-67-0(H3BTA)
- 1076-07-9(Phenylacetic-α,α-d2 Acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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