Cas no 910635-72-2 (Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-3,5-dimethyl-)
![Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-3,5-dimethyl- structure](https://ossimg.kuujia.com/scimg/911000/910635-72-2x500.png)
910635-72-2 structure
Product Name:Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-3,5-dimethyl-
CAS No:910635-72-2
MF:C11H14O2S
MW:210.292662143707
CID:1958738
PubChem ID:57508901
Update Time:2025-04-21
Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-3,5-dimethyl-
- 3,5-dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid
- DB-339032
- 910635-72-2
- SCHEMBL1861239
-
- Inchi： 1S/C11H14O2S/c1-6-3-4-8-9(5-6)7(2)14-10(8)11(12)13/h6H,3-5H2,1-2H3,(H,12,13)
- InChI Key： NKCBLJRIUUZBKG-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=C2C(=C1C)CC(C)CC2
Computed Properties
- Exact Mass: 210.07145086Da
- Monoisotopic Mass: 210.07145086Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 241
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 65.5?2
Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-3,5-dimethyl- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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