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CAS Number: 6947-94-0
2-methylfuran-3-carboxylic acid

Structure

2-methylfuran-3-carboxylic acid
Name: 2-methylfuran-3-carboxylic acid
Synonyms:
General Information
Product Number: 6947940

CAS Registry Number 6947-94-0
Name:
3-?Furancarboxylic acid, 2-?methyl-
3-Furoic acid, 2-methyl- (6CI,7CI,8CI)
2-Methyl-3-furancarboxylic acid
2-Methyl-3-furoic acid
NSC 55881

 

Chemical Formula: C6H6O3
Exact Mass: 126.03
Molecular Weight: 126.11
m/z: 126.03 (100.0%), 127.04 (6.7%)

 

InChI:InChI=1S/C6H6O3/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)

InChI Key:CFGQZVOVFIZRMN-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=CO1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 102-105 °C   (1)CAS
Melting Point 101-102 °C   (2)CAS
Melting Point 101-102 °C   (3)IC
Melting Point 101 °C   (4)CAS
Melting Point 101 °C Solv: water (7732-18-5) (5)CAS
Melting Point 100-101 °C Solv: water (7732-18-5) (6)CAS
Melting Point 99-100 °C   (7)CAS

Specification

98%

References
  1. (1) Bures, Edward; Journal of Organic Chemistry 1997, V62(25), P8750-8759 CAPLUS
  2. (2) Reichstein, T.; Helvetica Chimica Acta 1932, V15, P268-73 CAPLUS
  3. (3) Knight, David W.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1981, (4), P1125-31 CAPLUS
  4. (4) Asahina, Y.; Yakugaku Zasshi 1922, VNo. 485, P565-79 CAPLUS
  5. (5) Gilman, Henry; Iowa State College Journal of Science 1931, V5, P189-92 CAPLUS
  6. (6) Valenta, Miroslav; Collection of Czechoslovak Chemical Communications 1967, V32(2), P897-901 CAPLUS
  7. (7) Gonzalez, Francisco Garcia; Anales de Fisica y Quimica 1943, V41, P1463-78 CAPLUS
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