Cas no 910635-49-3 (Benzo[c]thiophene-1-carboxylic acid,4,5,6,7-tetrahydro-3-(hydroxymethyl)-5,5-dimethyl-)
![Benzo[c]thiophene-1-carboxylic acid,4,5,6,7-tetrahydro-3-(hydroxymethyl)-5,5-dimethyl- structure](https://ossimg.kuujia.com/scimg/911000/910635-49-3x500.png)
910635-49-3 structure
Product Name:Benzo[c]thiophene-1-carboxylic acid,4,5,6,7-tetrahydro-3-(hydroxymethyl)-5,5-dimethyl-
CAS No:910635-49-3
MF:C12H16O3S
MW:240.318642616272
CID:1967506
PubChem ID:57508887
Update Time:2025-04-21
Benzo[c]thiophene-1-carboxylic acid,4,5,6,7-tetrahydro-3-(hydroxymethyl)-5,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[c]thiophene-1-carboxylic acid,4,5,6,7-tetrahydro-3-(hydroxymethyl)-5,5-dimethyl-
- 3-hydroxymethyl-5,5-dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid
- 910635-49-3
- LSHQIZOAOKLDDC-UHFFFAOYSA-N
- SCHEMBL1855197
- DB-331333
-
- Inchi： 1S/C12H16O3S/c1-12(2)4-3-7-8(5-12)9(6-13)16-10(7)11(14)15/h13H,3-6H2,1-2H3,(H,14,15)
- InChI Key： LSHQIZOAOKLDDC-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=C2C(=C1CO)CC(C)(C)CC2
Computed Properties
- Exact Mass: 240.08201554Da
- Monoisotopic Mass: 240.08201554Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 290
- 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: 2.6
- Topological Polar Surface Area: 85.8?2
Benzo[c]thiophene-1-carboxylic acid,4,5,6,7-tetrahydro-3-(hydroxymethyl)-5,5-dimethyl- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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