Cas no 16765-60-9 (2-Thiophenecarboxylic acid, 3-(acetyloxy)-, methyl ester)
16765-60-9 structure
Product Name:2-Thiophenecarboxylic acid, 3-(acetyloxy)-, methyl ester
CAS No:16765-60-9
MF:C8H8O4S
MW:200.211721420288
CID:1348249
PubChem ID:12593664
Update Time:2025-04-20
2-Thiophenecarboxylic acid, 3-(acetyloxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 3-(acetyloxy)-, methyl ester
- methyl 3-acetyloxythiophene-2-carboxylate
- 3-acetoxythiophene-2-carboxylic acid methyl ester
- Methyl 3-(acetyloxy)thiophene-2-carboxylate
- 3-Acetoxy-thiophene-2-carboxylic acid methyl ester
- 16765-60-9
- SCHEMBL11463026
- WWZSZFFADNJVRK-UHFFFAOYSA-N
- DTXSID90503696
-
- Inchi： 1S/C8H8O4S/c1-5(9)12-6-3-4-13-7(6)8(10)11-2/h3-4H,1-2H3
- InChI Key： WWZSZFFADNJVRK-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1C(=O)OC)OC(C)=O
Computed Properties
- Exact Mass: 200.01434
- Monoisotopic Mass: 200.01432991g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 216
- 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: 1.5
- Topological Polar Surface Area: 80.8?2
Experimental Properties
- PSA: 52.6
2-Thiophenecarboxylic acid, 3-(acetyloxy)-, methyl ester Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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