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CAS Number: 229953-35-9
1-(prop-2-yn-1-yl)-1H-indole-2-carboxylic acid

Structure

1-(prop-2-yn-1-yl)-1H-indole-2-carboxylic acid
Name: 1-(prop-2-yn-1-yl)-1H-indole-2-carboxylic acid
Synonyms:
General Information
Product Number: 229953359

CAS Registry Number 229953-35-9
Name:
1H-?Indole-?2-?carboxylic acid, 1-?(2-?propyn-?1-?yl)?-
1H-Indole-2-carboxylic acid, 1-(2-propynyl)- (9CI)

 

Chemical Formula: C12H9NO2
Exact Mass: 199.06
Molecular Weight: 199.21
m/z: 199.06 (100.0%), 200.07 (13.2%), 201.07 (1.2%)

 

InChI:InChI=1S/C12H9NO2/c1-2-7-13-10-6-4-3-5-9(10)8-11(13)12(14)15/h1,3-6,8H,7H2,(H,14,15)

InChI Key:GSMVIBLZIJLKPF-UHFFFAOYSA-N

Canonical SMILES:C#CCN1C2=CC=CC=C2C=C1C(=O)O

Specification

98%

References

PCT Int. Appl. (1999), WO 9933800 A1 19990708.                                 

Heterocycles (2004), 63(7), 1645-1650. 

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