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CAS Number: 32387-21-6
1-methyl-1H-indole-3-carboxylic acid

Structure

1-methyl-1H-indole-3-carboxylic acid
Name: 1-methyl-1H-indole-3-carboxylic acid
Synonyms:
General Information
Product Number: 32387216

CAS Registry Number 32387-21-6
Name:
1H-?Indole-?3-?carboxylic acid, 1-?methyl-
Indole-3-carboxylic acid, 1-methyl- (6CI,7CI,8CI)
1-Methyl-1H-indole-3-carboxylic acid
1-Methylindole-3-carboxylic acid
3-Carboxy-1-methylindole
N-Methylindole-3-carboxylic acid

 

Chemical Formula: C10H9NO2
Exact Mass: 175.06
Molecular Weight: 175.18
m/z: 175.06 (100.0%), 176.07 (11.0%)

 

InChI:InChI=1S/C10H9NO2/c1-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-6H,1H3,(H,12,13)

InChI Key:HVRCLXXJIQTXHC-UHFFFAOYSA-N

Canonical SMILES:CN1C=C(C2=CC=CC=C21)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 214 °C   (4)CAS
Melting Point 212 °C (decomp)   (5)CAS
Melting Point 200-201 °C (decomp) Solv: isopropanol (67-63-0) (1)IC

Specification

98%

References
  1. (1) Baiocchi, Leandro; Journal of Heterocyclic Chemistry 1988, V25(6), P1905-9 CAPLUS
  2. (4) Hart, G.; Journal of Organic Chemistry 1962, V27, P2940-2 CAPLUS
  3. (5) Whalley, W. B.; Journal of the Chemical Society 1954, P1651-3 CAPLUS
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