Cas no 656226-83-4 (2-Thiophenecarboxylic acid, 5-[3-(phenylmethoxy)phenyl]-)
![2-Thiophenecarboxylic acid, 5-[3-(phenylmethoxy)phenyl]- structure](https://ossimg.kuujia.com/scimg/656500/656226-83-4x500.png)
656226-83-4 structure
Product Name:2-Thiophenecarboxylic acid, 5-[3-(phenylmethoxy)phenyl]-
CAS No:656226-83-4
MF:C18H14O3S
MW:310.366963863373
CID:1694116
PubChem ID:20100176
Update Time:2025-04-21
2-Thiophenecarboxylic acid, 5-[3-(phenylmethoxy)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 5-[3-(phenylmethoxy)phenyl]-
- 656226-83-4
- AKOS004118875
- 5-[3-(Benzyloxy)phenyl]-2-thiophenecarboxylic acid
- SCHEMBL5904040
-
- Inchi： 1S/C18H14O3S/c19-18(20)17-10-9-16(22-17)14-7-4-8-15(11-14)21-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,20)
- InChI Key： HITBOGMAWUCCPI-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=CC=C1C1C=CC=C(C=1)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 310.06642
- Monoisotopic Mass: 310.06636548g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 367
- 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: 4.6
- Topological Polar Surface Area: 74.8?2
Experimental Properties
- PSA: 46.53
2-Thiophenecarboxylic acid, 5-[3-(phenylmethoxy)phenyl]- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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