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CAS Number: 16176-74-2
2-(1H-indol-4-yl)acetic acid

Structure

 2-(1H-indol-4-yl)acetic acid
Name: 2-(1H-indol-4-yl)acetic acid
Synonyms:
General Information
Product Number: 16176742

CAS Registry Number 16176-74-2
Name:
1H-?Indole-?4-?acetic acid
Indol-4-yl-acetic acid
Indole-4-acetic 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/c12-10(13)6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H,6H2,(H,12,13)

InChI Key:XYJNAOLVFGLFTJ-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C2C=CNC2=C1)CC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 207-208 °C Solv: ethanol (64-17-5); benzene (71-43-2) (1)IC
Melting Point 205-206 °C   (2)IC
Melting Point 205 °C   (3)CAS

Specification

98%
References
  1. (1) Cannon, Joseph G.; Journal of Heterocyclic Chemistry 1982, V19(5), P1195-9 CAPLUS
  2. (2) Ponticello, Gerald S.; Journal of Organic Chemistry 1979, V44(22), P4003-5 CAPLUS
  3. (3) Plieninger, Hans; Chemische Berichte 1956, V89, P270-8 CAPLUS
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