Cas no 89913-87-1 (2-Thiophenecarboxylic acid, 5-(1-oxobutyl)-)
89913-87-1 structure
Product Name:2-Thiophenecarboxylic acid, 5-(1-oxobutyl)-
CAS No:89913-87-1
MF:C9H10O3S
MW:198.238901615143
CID:585360
PubChem ID:2837702
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 5-(1-oxobutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)-
- 5-butanoylthiophene-2-carboxylic acid
- 89913-87-1
- CBDivE_008123
- 2-butanoylthiophene-5-carboxylic acid
- DTXSID40385520
-
- Inchi： 1S/C9H10O3S/c1-2-3-6(10)7-4-5-8(13-7)9(11)12/h4-5H,2-3H2,1H3,(H,11,12)
- InChI Key： JGGMTQFJCVUTKU-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=CC=C1C(CCC)=O
Computed Properties
- Exact Mass: 198.03506535g/mol
- Monoisotopic Mass: 198.03506535g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 215
- 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: 2.3
- Topological Polar Surface Area: 82.6?2
2-Thiophenecarboxylic acid, 5-(1-oxobutyl)- Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
89913-87-1 (2-Thiophenecarboxylic acid, 5-(1-oxobutyl)-) Related Products
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