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CAS Number: 3471-31-6
2-(5-methoxy-1H-indol-3-yl)acetic acid

Structure

2-(5-methoxy-1H-indol-3-yl)acetic acid
Name: 2-(5-methoxy-1H-indol-3-yl)acetic acid
Synonyms:
General Information
Product Number: 3471316

CAS Registry Number 3471-31-6
Name:
1H-?Indole-?3-?acetic acid, 5-?methoxy-
Indole-3-acetic acid, 5-methoxy- (6CI,7CI,8CI)
(5-Methoxy-1H-indol-3-yl)acetic acid
2-(5-Methoxy-1H-indol-3-yl)acetic acid
2-(5-Methoxy-3-indolyl)acetic acid
5-Methoxy-1H-indole-3-acetic acid

 

Chemical Formula: C11H11NO3
Exact Mass: 205.07
Molecular Weight: 205.21
m/z: 205.07 (100.0%), 206.08 (12.1%), 207.08 (1.3%)

 

InChI:InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)

InChI Key:COCNDHOPIHDTHK-UHFFFAOYSA-N

Canonical SMILES:COC1=CC2=C(C=C1)NC=C2CC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 147-149 °C   (4)CAS
Melting Point 147-148 °C   (7)CAS
Melting Point 146-149 °C Solv: dichloromethane (75-09-2) (3)CAS
Melting Point 146-147 °C   (8)CAS
Melting Point 146 °C (decomp) Solv: water (7732-18-5) (9)CAS
Melting Point See full text   (10)CAS

Specification

98%

References
  1. (3) Tsotinis, Andrew; Journal of Medicinal Chemistry 2007, V50(25), P6436-6440 CAPLUS
  2. (4) Tsuda, Etsuko; Journal of Biological Chemistry 2011, V286(3), P2354-2364 CAPLUS
  3. (7) Leekning, Marta Elena; Revista da Faculdade de Farmacia e Bioquimica da Universidade de Sao Paulo 1964, V2(2), P45-51 CAPLUS
  4. (8) Hoshino, Toshio; Bulletin of the Chemical Society of Japan 1936, V11, P221-4 CAPLUS
  5. (9) Findlay, Stephen P.; Journal of Organic Chemistry 1948, V13, P560-9 CAPLUS
  6. (10) Asero, B.; Farmaco, Edizione Scientifica 1956, V11, P219-20 CAPLUS
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