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CAS Number: 70631-93-5
4-methyl-1H-imidazole-2-carboxylic acid

Structure

 4-methyl-1H-imidazole-2-carboxylic acid
Name: 4-methyl-1H-imidazole-2-carboxylic acid
Synonyms:
General Information
Product Number: 70631935

CAS Registry Number 70631-93-5
Name:
1H-?Imidazole-?2-?carboxylic acid, 5-?methyl-
1H-Imidazole-2-carboxylic acid, 4-methyl- (9CI)
5-Methyl-1H-imidazole-2-carboxylic acid
4-Methyl-1H-imidazole-2-carboxylic acid
4-Methylimidazole-2-carboxylic acid

 

Chemical Formula: C5H6N2O2
Exact Mass: 126.04
Molecular Weight: 126.11
m/z: 126.04 (100.0%), 127.05 (5.6%)

 

InChI:InChI=1S/C5H6N2O2/c1-3-2-6-4(7-3)5(8)9/h2H,1H3,(H,6,7)(H,8,9)

InChI Key:JYKNMRPMJXDBJS-UHFFFAOYSA-N

Canonical SMILES:CC1=CN=C(N1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 175 °C (decomp)   (1)CAS
Melting Point 165-167 °C   (2)IC

Specification

98%
References
  1. (1) John, W.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1935, V68B, P2283-91 CAPLUS
  2. (2) Kimoto, Hiroshi; Journal of Organic Chemistry 1979, V44(16), P2902-6 CAPLUS
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