Cas no 676348-57-5 (3-OXO-2-(THIOPHENE-2-CARBONYL)-BUTYRIC ACID METHYL ESTER)
676348-57-5 structure
Product Name:3-OXO-2-(THIOPHENE-2-CARBONYL)-BUTYRIC ACID METHYL ESTER
CAS No:676348-57-5
MF:C10H10O4S
MW:226.249001979828
CID:890560
PubChem ID:2760274
Update Time:2025-04-19
3-OXO-2-(THIOPHENE-2-CARBONYL)-BUTYRIC ACID METHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- 3-OXO-2-(THIOPHENE-2-CARBONYL)-BUTYRIC ACID METHYL ESTER
- 3-OXO-2-(THIOPHENE-2-CARBONYL)BUTYRIC ACID METHYL ESTER
- methyl 3-oxo-2-(thiophene-2-carbonyl)butanoate
- 3-Oxo-2-(thiophene-2-carbonyl)-butyric acid methyl
- 676348-57-5
- DTXSID00375088
- A835836
-
- MDL： MFCD03424760
- Inchi： 1S/C10H10O4S/c1-6(11)8(10(13)14-2)9(12)7-4-3-5-15-7/h3-5,8H,1-2H3
- InChI Key： ZSKFIXMFIWJQKD-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(C(C(=O)OC)C(C)=O)=O
Computed Properties
- Exact Mass: 226.03000
- Monoisotopic Mass: 226.02997997g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 287
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 88.7?2
Experimental Properties
- PSA: 88.68000
- LogP: 1.30900
3-OXO-2-(THIOPHENE-2-CARBONYL)-BUTYRIC ACID METHYL ESTER Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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