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CAS Number: 58414-52-1
methyl 2-(thiophen-3-yl)acetate

Structure

methyl 2-(thiophen-3-yl)acetate
Name: methyl 2-(thiophen-3-yl)acetate
Synonyms:
General Information
Product Number: 58414521

CAS Registry Number 58414-52-1
Name:
3-​Thiopheneacetic acid, methyl ester
2-(Thien-3-yl)acetic acid methyl ester
Methyl 3-thienylacetate
Methyl 3-thiopheneacetate

 

Chemical Formula: C7H8O2S
Exact Mass: 156.02
Molecular Weight: 156.20
m/z: 156.02 (100.0%), 157.03 (7.7%), 158.02 (4.5%)

 

InChI:InChI=1S/C7H8O2S/c1-9-7(8)4-6-2-3-10-5-6/h2-3,5H,4H2,1H3

InChI Key:RZGRWVULDSXQSM-UHFFFAOYSA-N

Canonical SMILES:COC(=O)CC1=CSC=C1

 

Thermal Properties Value Condition Note
Boiling Point 56-58 °C Press: 1.2 Torr (1)IC
Enthalpy See full text   (3)CAS
Formation Enthalpy See full text   (4)CAS
Formation Enthalpy See full text   (3)CAS
Heat Capacity See full text   (5)CAS

Specification

98%

References
  1. (1) De Cointet, Paul; European Journal of Medicinal Chemistry 1980, V15(3), P223-7 CAPLUS
  2. (3) Roux, Maria Victoria; Journal of Physical Chemistry A 2007, V111(24), P5280-5286 CAPLUS
  3. (4) Zauer, E. A.; Chemistry of Heterocyclic Compounds (New York, NY, United States) 2011, V46(11), P1325-1329 CAPLUS
  4. (5) Temprado, Manuel; Thermochimica Acta 2006, V441(1), P20-26 CAPLUS
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