Cas no 85494-03-7 (Benzo[b]thiophene-2-acetic acid, methyl ester)
![Benzo[b]thiophene-2-acetic acid, methyl ester structure](https://ossimg.kuujia.com/scimg/85500/85494-03-7x500.png)
85494-03-7 structure
Product Name:Benzo[b]thiophene-2-acetic acid, methyl ester
CAS No:85494-03-7
MF:C11H10O2S
MW:206.260901927948
CID:664179
PubChem ID:5078327
Update Time:2025-04-19
Benzo[b]thiophene-2-acetic acid, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-2-acetic acid, methyl ester
- methyl 2-(1-benzothiophen-2-yl)acetate
-
- Inchi： 1S/C11H10O2S/c1-13-11(12)7-9-6-8-4-2-3-5-10(8)14-9/h2-6H,7H2,1H3
- InChI Key： UOUNYJRQATVNID-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C=C1CC(=O)OC
Computed Properties
- Exact Mass: 206.04015073g/mol
- Monoisotopic Mass: 206.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 217
- 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: 2.8
- Topological Polar Surface Area: 54.5?2
Benzo[b]thiophene-2-acetic acid, methyl ester Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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