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CAS Number: 7510-15-8
2-(5-methoxy-1-methyl-1H-indol-3-yl)acetic acid

Structure

2-(5-methoxy-1-methyl-1H-indol-3-yl)acetic acid
Name: 2-(5-methoxy-1-methyl-1H-indol-3-yl)acetic acid
Synonyms:
General Information
Product Number: 7510158

CAS Registry Number 7510-15-8
Name:
1H-​Indole-​3-​acetic acid, 5-​methoxy-​1-​methyl-
Indole-3-acetic acid, 5-methoxy-1-methyl- (6CI,7CI)
5-Methoxy-1-methyl-3-indolylacetic acid
NSC 405601

 

Chemical Formula: C12H13NO3
Exact Mass: 219.09
Molecular Weight: 219.24
m/z: 219.09 (100.0%), 220.09 (13.5%)

 

InChI:InChI=1S/C12H13NO3/c1-13-7-8(5-12(14)15)10-6-9(16-2)3-4-11(10)13/h3-4,6-7H,5H2,1-2H3,(H,14,15)

InChI Key:MRLXXUFKUMSMBU-UHFFFAOYSA-N

Canonical SMILES:CN1C=C(C2=C1C=CC(=C2)OC)CC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 139-140 °C Solv: water (7732-18-5); ethanol (64-17-5) (2)CAS
Melting Point 136-138 °C   (3)CAS

Specification

98%

References
  1. (2) Julia, Marc; Bulletin de la Societe Chimique de France 1962, P1051-5 CAPLUS
  2. (3) Woolley, Dilworth; US 2890223 1959 CAPLUS
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