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CAS Number: 16136-58-6
1-methyl-1H-indole-2-carboxylic acid

Structure

1-methyl-1H-indole-2-carboxylic acid
Name: 1-methyl-1H-indole-2-carboxylic acid
Synonyms:
General Information
Product Number: 16136586

CAS Registry Number 16136-58-6
Name:
1H-?Indole-?2-?carboxylic acid, 1-?methyl-
Indole-2-carboxylic acid, 1-methyl- (6CI,7CI,8CI)
1-Methyl-1H-indole-2-carboxylic acid
1-Methylindole-2-carboxylic acid
N-Methyl-2-indolecarboxylic acid
NSC 68357

 

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

InChI Key:MAHAMBLNIDMREX-UHFFFAOYSA-N

Canonical SMILES:CN1C2=CC=CC=C2C=C1C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 214 °C   (9)CAS
Melting Point 213-214 °C   (10)IC
Melting Point 210-211 °C   (8)CAS
Melting Point 207-208 °C   (11)CAS
Melting Point 155 °C (decomp)   (5)CAS
Melting Point See full text   (12)CAS

Specification

98%

References
  1. (5) Ganton, Michael D.; Organic Letters 2005, V7(21), P4777-4779 CAPLUS
  2. (8) Sechi, Mario; Journal of Medicinal Chemistry 2004, V47(21), P5298-5310 CAPLUS
  3. (9) Marion, Leo; Canadian Journal of Research, Section B: Chemical Sciences 1947, V25B, P1-13 CAPLUS
  4. (10) Cruces, M. A.; Farmaco, Edizione Scientifica 1988, V43(7-8), P567-73 CAPLUS
  5. (11) Kost, A. N.; Zhurnal Obshchei Khimii 1968, V38(8), P1809-14 CAPLUS
  6. (12) Shirley, David A.; Journal of the American Chemical Society 1953, V75, P375-8 CAPLUS
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