Cas no 13132-07-5 (3-Phenylthiophene-2,5-dicarboxylic acid)
13132-07-5 structure
Product Name:3-Phenylthiophene-2,5-dicarboxylic acid
CAS No:13132-07-5
MF:C12H8O4S
MW:248.254522323608
CID:2156898
PubChem ID:19874653
Update Time:2025-04-21
3-Phenylthiophene-2,5-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Phenylthiophene-2,5-dicarboxylic acid
- 3-Phenyl-thiophene-2,5-dicarboxylic acid
- DB-241246
- 13132-07-5
- 2,5-Thiophenedicarboxylic acid, 3-phenyl-
- SCHEMBL9671658
-
- MDL： MFCD28405653
- Inchi： 1S/C12H8O4S/c13-11(14)9-6-8(10(17-9)12(15)16)7-4-2-1-3-5-7/h1-6H,(H,13,14)(H,15,16)
- InChI Key： YKRQPDAYQVFJPU-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=CC(=C1C(=O)O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 248.01432991Da
- Monoisotopic Mass: 248.01432991Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 312
- 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: 2.9
- Topological Polar Surface Area: 103?2
3-Phenylthiophene-2,5-dicarboxylic acid Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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