Cas no 33148-82-2 (ethyl 5-acetylthiophene-2-carboxylate)
33148-82-2 structure
Product Name:ethyl 5-acetylthiophene-2-carboxylate
CAS No:33148-82-2
MF:C9H10O3S
MW:198.238901615143
CID:2108989
PubChem ID:18737820
Update Time:2025-04-21
ethyl 5-acetylthiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 5-acetylthiophene-2-carboxylate
- 2-Thiophenecarboxylic acid, 5-acetyl-, ethyl ester
- 5-Acetyl-thiophene-2-carboxylic acid ethyl ester
- AKOS006228847
- 33148-82-2
- DTXSID40595900
- CS-0497675
- PDIKYTHWLCYLEG-UHFFFAOYSA-N
- F94895
- DA-06808
- SCHEMBL3253491
-
- Inchi： 1S/C9H10O3S/c1-3-12-9(11)8-5-4-7(13-8)6(2)10/h4-5H,3H2,1-2H3
- InChI Key： PDIKYTHWLCYLEG-UHFFFAOYSA-N
- SMILES： S1C(C(C)=O)=CC=C1C(=O)OCC
Computed Properties
- Exact Mass: 198.03506535Da
- Monoisotopic Mass: 198.03506535Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 215
- 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: 2.2
- Topological Polar Surface Area: 71.6?2
ethyl 5-acetylthiophene-2-carboxylate Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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