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CAS Number: 2689-69-2
methyl 3-oxotetrahydrothiophene-2-carboxylate

Structure

 methyl 3-oxotetrahydrothiophene-2-carboxylate
Name: methyl 3-oxotetrahydrothiophene-2-carboxylate
Synonyms:
General Information
Product Number: 2689692
CAS Registry Number: 2689-69-2
Name:
2-​Thiophenecarboxylic acid, tetrahydro-​3-​oxo-​, methyl ester
Methyl 3-​oxo-​2,​3,​4,​5-​tetrahydrothiophene-​2-​carboxylate; Methyl 3-​oxotetrahydrothiophe​ne-​2-​carboxylate; Methyl tetrahydro-​3-​oxo-​2-​thiophenecarboxylate 
Deleted CAS Registry Numbers: 92630-​01-​8
 
Chemical Formula: C6H8O3S
Exact Mass: 160.02
Molecular Weight: 160.19
m/z: 160.02 (100.0%), 161.02 (7.4%), 162.02 (5.2%)
Elemental Analysis: C, 44.99; H, 5.03; O, 29.96; S, 20.02
 
InChI: InChI=1S/C6H8O3S/c1-9-6(8)5-4(7)2-3-10-5/h5H,2-3H2,1H3
InChIKey: TUSSXVYKOOVOID-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1C(=O)CCS1
 
Thermal Properties Value Condition Note
Boiling Point 122-124 °C Press: 2.4 Torr (1)IC
Boiling Point 90-95 °C Press: 0.8 Torr (2)IC

Specification

98%
References
  1. (1) Struharik, M.; Chemical Papers 1986, V40(5), P639-48 CAPLUS
  2. (2) Shepherd, Robin Gerald; EP 344983 A1 1989 CAPLUS
  3. (3) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  5. (5) Liu, Hsing Jang; Canadian Journal of Chemistry 1982, V60(4), P437-9 CAPLUS
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