Cas no 66319-00-4 (3-Thiophenecarboxylic acid, tetrahydro-4-oxo-5-propyl-, methyl ester)
66319-00-4 structure
Product Name:3-Thiophenecarboxylic acid, tetrahydro-4-oxo-5-propyl-, methyl ester
CAS No:66319-00-4
MF:C9H14O3S
MW:202.270661830902
CID:396504
PubChem ID:13286145
Update Time:2025-04-19
3-Thiophenecarboxylic acid, tetrahydro-4-oxo-5-propyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 3-Thiophenecarboxylic acid, tetrahydro-4-oxo-5-propyl-, methyl ester
- methyl 4-oxo-5-propylthiolane-3-carboxylate
- DTXSID70534781
- SCHEMBL11108940
- 4-carbomethoxy-3-keto-2-propyl-tetrahydrothiophene
- XAKJQFQGSGODID-UHFFFAOYSA-N
- 66319-00-4
-
- Inchi： 1S/C9H14O3S/c1-3-4-7-8(10)6(5-13-7)9(11)12-2/h6-7H,3-5H2,1-2H3
- InChI Key： XAKJQFQGSGODID-UHFFFAOYSA-N
- SMILES： S1CC(C(=O)OC)C(C1CCC)=O
Computed Properties
- Exact Mass: 202.06642
- Monoisotopic Mass: 202.06636548g/mol
- 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 : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 68.7?2
Experimental Properties
- PSA: 43.37
3-Thiophenecarboxylic acid, tetrahydro-4-oxo-5-propyl-, methyl ester Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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