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CAS Number: 40047-22-1
6-(benzyloxy)-1H-indole-2-carboxylic acid

Structure

 6-(benzyloxy)-1H-indole-2-carboxylic acid
Name: 6-(benzyloxy)-1H-indole-2-carboxylic acid
Synonyms:
General Information
Product Number: 40047221

CAS Registry Number 40047-22-1
Name:
1H-?Indole-?2-?carboxylic acid, 6-?(phenylmethoxy)?-
2-Indolecarboxylic acid, 6-(benzyloxy)- (5CI)
6-(Benzyloxy)indole-2-carboxylic acid

 

Chemical Formula: C16H13NO3
Exact Mass: 267.09
Molecular Weight: 267.28
m/z: 267.09 (100.0%), 268.09 (17.8%), 269.10 (1.4%)

 

InChI:InChI=1S/C16H13NO3/c18-16(19)15-8-12-6-7-13(9-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)

InChI Key:LRPMQYYRQWFNIA-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=C(N3)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 200 °C (decomp)   (1)CAS
Melting Point 199-200 °C (decomp)   (2)CAS
Melting Point 185-186 °C (decomp)   (3)CAS

Specification

98%
References
  1. (1) Beer, R. J. S.; Journal of the Chemical Society 1948, P1605-9 CAPLUS
  2. (2) Stoll, A.; Helvetica Chimica Acta 1955, V38, P1452-72 CAPLUS
  3. (3) Burton, Harold; Journal of the Chemical Society 1937, P1726-8 CAPLUS
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