Cas no 1261902-39-9 (4-(3-Carboxy-2-methylphenyl)thiophene-2-carboxylic acid)
1261902-39-9 structure
Product Name:4-(3-Carboxy-2-methylphenyl)thiophene-2-carboxylic acid
CAS No:1261902-39-9
MF:C13H10O4S
MW:262.281102657318
CID:2762331
PubChem ID:53226819
Update Time:2025-04-21
4-(3-Carboxy-2-methylphenyl)thiophene-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- DTXSID70690437
- 1261902-39-9
- 4-(3-Carboxy-2-methylphenyl)thiophene-2-carboxylic acid
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- Inchi： 1S/C13H10O4S/c1-7-9(3-2-4-10(7)12(14)15)8-5-11(13(16)17)18-6-8/h2-6H,1H3,(H,14,15)(H,16,17)
- InChI Key： JZGWMRJPSYQZML-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=CC(=C1)C1C=CC=C(C(=O)O)C=1C
Computed Properties
- Exact Mass: 262.02997997Da
- Monoisotopic Mass: 262.02997997Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 344
- 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: 103?2
4-(3-Carboxy-2-methylphenyl)thiophene-2-carboxylic acid Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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4. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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