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CAS Number: 5118-06-9
methyl 3-hydroxythiophene-2-carboxylate

Structure

methyl 3-hydroxythiophene-2-carboxylate
Name: methyl 3-hydroxythiophene-2-carboxylate
Synonyms:
General Information
Product Number: 5118069
CAS Registry Number: 5118-06-9
Name:
2-​Thiophenecarboxylic acid, 3-​hydroxy-​, methyl ester
2-​(Carbomethoxy)​-​3-​hydroxythiophene; 3-​Hydroxy-​2-​(methoxycarbonyl)​thiophene; 3-​Hydroxy-​2-​thiophenecarboxylic acid methyl ester; Methyl 3-​hydroxy-​2-​thiophenecarboxylate 
 
Chemical Formula: C6H6O3S
Exact Mass: 158.00
Molecular Weight: 158.18
m/z: 158.00 (100.0%), 159.01 (6.7%), 160.00 (4.5%)
Elemental Analysis: C, 45.56; H, 3.82; O, 30.34; S, 20.27
 
InChI: InChI=1S/C6H6O3S/c1-9-6(8)5-4(7)2-3-10-5/h2-3,7H,1H3
InChIKey: SEMVRXMFCHXUMD-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CS1)O
 
Thermal Properties Value Condition Note
Boiling Point 108 °C Press: 13 Torr (1)CAS
Boiling Point 100-102 °C Press: 14 Torr (2)CAS
Boiling Point 68-73 °C Press: 0.4 Torr (3)IC
Boiling Point 45 °C Press: 0.001 Torr (4)CAS
Melting Point 43-45 °C   (10)IC
Melting Point 43-45 °C   (11)IC

Specification

98%

References
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  7. (7) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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