Cas no 87694-31-3 (3-Thiophenecarboxylic acid, 4-(2-carboxyphenyl)-2-phenyl-)
87694-31-3 structure
Product Name:3-Thiophenecarboxylic acid, 4-(2-carboxyphenyl)-2-phenyl-
CAS No:87694-31-3
MF:C18H12O4S
MW:324.350483894348
CID:653445
PubChem ID:13113382
Update Time:2025-04-19
3-Thiophenecarboxylic acid, 4-(2-carboxyphenyl)-2-phenyl- Chemical and Physical Properties
Names and Identifiers
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- 3-Thiophenecarboxylic acid, 4-(2-carboxyphenyl)-2-phenyl-
- 4-(2-carboxyphenyl)-2-phenylthiophene-3-carboxylic acid
- DTXSID40518795
- 87694-31-3
-
- Inchi： 1S/C18H12O4S/c19-17(20)13-9-5-4-8-12(13)14-10-23-16(15(14)18(21)22)11-6-2-1-3-7-11/h1-10H,(H,19,20)(H,21,22)
- InChI Key： CPYDFFMUNJNKQL-UHFFFAOYSA-N
- SMILES： S1C=C(C2C=CC=CC=2C(=O)O)C(C(=O)O)=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 324.04563003g/mol
- Monoisotopic Mass: 324.04563003g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 446
- 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: 3.9
- Topological Polar Surface Area: 103?2
3-Thiophenecarboxylic acid, 4-(2-carboxyphenyl)-2-phenyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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