Cas no 947149-26-0 (3-METHYL-5-P-TOLYLTHIOPHENE-2-CARBOXYLIC ACID)
947149-26-0 structure
Product Name:3-METHYL-5-P-TOLYLTHIOPHENE-2-CARBOXYLIC ACID
CAS No:947149-26-0
MF:C13H12O2S
MW:232.298182487488
CID:1984519
PubChem ID:66879104
Update Time:2025-04-21
3-METHYL-5-P-TOLYLTHIOPHENE-2-CARBOXYLIC ACID Chemical and Physical Properties
Names and Identifiers
-
- 3-METHYL-5-P-TOLYLTHIOPHENE-2-CARBOXYLIC ACID
- 947149-26-0
- SCHEMBL1021559
- QXPPXGFTRRTFFS-UHFFFAOYSA-N
-
- Inchi： 1S/C13H12O2S/c1-8-3-5-10(6-4-8)11-7-9(2)12(16-11)13(14)15/h3-7H,1-2H3,(H,14,15)
- InChI Key： QXPPXGFTRRTFFS-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=C(C)C=C1C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 232.05580079Da
- Monoisotopic Mass: 232.05580079Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 259
- 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: 65.5?2
3-METHYL-5-P-TOLYLTHIOPHENE-2-CARBOXYLIC ACID Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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