Cas no 82788-19-0 (BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 6-HYDROXY-3-METHYL-, METHYL ESTER)
![BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 6-HYDROXY-3-METHYL-, METHYL ESTER structure](https://ossimg.kuujia.com/scimg/83000/82788-19-0x500.png)
82788-19-0 structure
Product Name:BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 6-HYDROXY-3-METHYL-, METHYL ESTER
CAS No:82788-19-0
MF:C11H10O3S
MW:222.260302066803
CID:3380904
PubChem ID:13662997
Update Time:2025-04-21
BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 6-HYDROXY-3-METHYL-, METHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 6-HYDROXY-3-METHYL-, METHYL ESTER
- 6-Hydroxy-3-methyl-benzo[b]thiophene-2-carboxylic acid methyl ester
- methyl 6-hydroxy-3-methylbenzo[b]thiophene-2-carboxylate
- 6-hydroxy-3-methylbenzo[b]thiophene-2-carboxylic acid methyl ester
- SCHEMBL10949281
- methyl 6-hydroxy-3-methyl-1-benzothiophene-2-carboxylate
- 82788-19-0
- G10905
- JYXLBGHYQHYJGK-UHFFFAOYSA-N
- DTXSID801200728
-
- Inchi： 1S/C11H10O3S/c1-6-8-4-3-7(12)5-9(8)15-10(6)11(13)14-2/h3-5,12H,1-2H3
- InChI Key： JYXLBGHYQHYJGK-UHFFFAOYSA-N
- SMILES： C12=CC(O)=CC=C1C(C)=C(C(OC)=O)S2
Computed Properties
- Exact Mass: 222.03506535Da
- Monoisotopic Mass: 222.03506535Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 256
- 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: 3.1
- Topological Polar Surface Area: 74.8?2
BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 6-HYDROXY-3-METHYL-, METHYL ESTER Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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