Cas no 910635-44-8 (Benzo[b]thiophene-2-carboxylic acid,4,5,6,7-tetrahydro-3,5,5-trimethyl-, ethyl ester)
![Benzo[b]thiophene-2-carboxylic acid,4,5,6,7-tetrahydro-3,5,5-trimethyl-, ethyl ester structure](https://ossimg.kuujia.com/scimg/911000/910635-44-8x500.png)
910635-44-8 structure
Product Name:Benzo[b]thiophene-2-carboxylic acid,4,5,6,7-tetrahydro-3,5,5-trimethyl-, ethyl ester
CAS No:910635-44-8
MF:C14H20O2S
MW:252.372403144836
CID:1967505
PubChem ID:57508885
Update Time:2025-04-21
Benzo[b]thiophene-2-carboxylic acid,4,5,6,7-tetrahydro-3,5,5-trimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-2-carboxylic acid,4,5,6,7-tetrahydro-3,5,5-trimethyl-, ethyl ester
- 3,5,5-trimethyl-4,5,6,7-tetrahydro-benzo[b]thiophene-2-carboxylic acid ethyl ester
- DB-339020
- SCHEMBL1855201
- 910635-44-8
- ABXBOVOKTFSWEL-UHFFFAOYSA-N
-
- Inchi： 1S/C14H20O2S/c1-5-16-13(15)12-9(2)10-8-14(3,4)7-6-11(10)17-12/h5-8H2,1-4H3
- InChI Key： ABXBOVOKTFSWEL-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OCC)=C(C)C2=C1CCC(C)(C)C2
Computed Properties
- Exact Mass: 252.11840105Da
- Monoisotopic Mass: 252.11840105Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 301
- 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: 4.4
- Topological Polar Surface Area: 54.5?2
Benzo[b]thiophene-2-carboxylic acid,4,5,6,7-tetrahydro-3,5,5-trimethyl-, ethyl ester Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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