Cas no 52779-97-2 (Benzeneacetic acid, a-methyl-4-(2-thienylcarbonyl)-,sodium salt (1:1))
52779-97-2 structure
Product Name:Benzeneacetic acid, a-methyl-4-(2-thienylcarbonyl)-,sodium salt (1:1)
CAS No:52779-97-2
MF:C14H11NaO3S
MW:282.290113687515
CID:371178
PubChem ID:23663698
Update Time:2025-04-19
Benzeneacetic acid, a-methyl-4-(2-thienylcarbonyl)-,sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-methyl-4-(2-thienylcarbonyl)-,sodium salt (1:1)
- sodium 2-[4-(2-thienylcarbonyl)phenyl]propionate
- sodium,2-[4-(thiophene-2-carbonyl)phenyl]propanoate
- Sodium 2-(4-(2-thienylcarbonyl)phenyl)propionate
- sodium 2-[4-(thiophen-2-ylcarbonyl)phenyl]propanoate
- UNII-S8LB9M91ST
- 52779-97-2
- DTXSID10967236
- NS00089052
- EINECS 258-174-0
- S8LB9M91ST
- Q27289052
- SODIUM 2-[4-(THIOPHENE-2-CARBONYL)PHENYL]PROPANOATE
- BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-THIENYLCARBONYL)-, SODIUM SALT
- BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-THIENYLCARBONYL)-, SODIUM SALT (1:1)
- Suprofen sodium
-
- Inchi： 1S/C14H12O3S.Na/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12;/h2-9H,1H3,(H,16,17);/q;+1/p-1
- InChI Key： ADTGIGSPQHDPLT-UHFFFAOYSA-M
- SMILES： S1C=CC=C1C(C1C=CC(=CC=1)C(C(=O)[O-])C)=O.[Na+]
Computed Properties
- Exact Mass: 282.03273
- Monoisotopic Mass: 282.03266
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 327
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 5
- XLogP3: nothing
- Topological Polar Surface Area: 85.4
Experimental Properties
- Boiling Point: 442.6°Cat760mmHg
- Flash Point: 221.5°C
- PSA: 57.2
Benzeneacetic acid, a-methyl-4-(2-thienylcarbonyl)-,sodium salt (1:1) Related Literature
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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