Cas no 58416-23-2 (2-Thiopheneacetic acid, phenylmethyl ester)
58416-23-2 structure
Product Name:2-Thiopheneacetic acid, phenylmethyl ester
CAS No:58416-23-2
MF:C13H12O2S
MW:232.298182487488
CID:1610456
PubChem ID:566309
Update Time:2025-04-21
2-Thiopheneacetic acid, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiopheneacetic acid, phenylmethyl ester
- benzyl 2-thiophen-2-ylacetate
- DTXSID60340651
- SCHEMBL6970386
- 58416-23-2
- Benzyl 2-thienylacetate #
- INAOLJFAUXIMFC-UHFFFAOYSA-N
- 2-Thiopheneacetic acid, benzyl ester
-
- Inchi： 1S/C13H12O2S/c14-13(9-12-7-4-8-16-12)15-10-11-5-2-1-3-6-11/h1-8H,9-10H2
- InChI Key： INAOLJFAUXIMFC-UHFFFAOYSA-N
- SMILES： S1C=CC=C1CC(=O)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 232.05586
- Monoisotopic Mass: 232.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 224
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
2-Thiopheneacetic acid, phenylmethyl ester Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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