Cas no 944326-76-5 (3-Isopropyl-4-propylthiophene-2-carboxylic acid)
944326-76-5 structure
Product Name:3-Isopropyl-4-propylthiophene-2-carboxylic acid
CAS No:944326-76-5
MF:C11H16O2S
MW:212.308542251587
CID:2152281
Update Time:2023-08-05
3-Isopropyl-4-propylthiophene-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-isopropyl-4-propylthiophene-2-carboxylic acid
- DWPRSTURQLMTSS-UHFFFAOYSA-N
- 3-isopropyl-4-propyl-thiophene-2-carboxylic acid
- 3-Isopropyl-4-propylthiophene-2-carboxylic acid
-
- Inchi： 1S/C11H16O2S/c1-4-5-8-6-14-10(11(12)13)9(8)7(2)3/h6-7H,4-5H2,1-3H3,(H,12,13)
- InChI Key： DWPRSTURQLMTSS-UHFFFAOYSA-N
- SMILES： S1C=C(CCC)C(=C1C(=O)O)C(C)C
Computed Properties
- Exact Mass: 212.087
- Monoisotopic Mass: 212.087
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 204
- 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
- Topological Polar Surface Area: 65.5
3-Isopropyl-4-propylthiophene-2-carboxylic acid Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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