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CAS Number: 4382-54-1
5-methoxy-1H-indole-2-carboxylic acid

Structure

5-methoxy-1H-indole-2-carboxylic acid
Name: 5-methoxy-1H-indole-2-carboxylic acid
Synonyms:
General Information
Product Number: 4382541
CAS Number:
4382-54-1
Name:
5-Methoxyindole-2-carboxylic acid
Synonyms:
Indole-2-carboxylic acid, 5-methoxy-;Acide methoxy-5 indole carboxylique-2 [French];5-Methoxy-2-indolecarboxylic acid;1H-Indole-2-carboxylic acid, 5-methoxy-;5-methoxy-1H-indole-2-carboxylate;5-methoxy-1H-indole-2-carboxylic acid;1H-Indole-2-carboxylic acid, 5-methoxy- (9CI);
Chemical Formula: C10H9NO3
Exact Mass: 191.06
Molecular Weight: 191.18
m/z: 191.06 (100.0%), 192.06 (11.4%), 193.06 (1.2%)
Elemental Analysis: C, 62.82; H, 4.74; N, 7.33; O, 25.11
MDL number: MFCD00005614.
InChI: InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKey: YEBJVSLNUMZXRJ-UHFFFAOYSA-N
Canonical SMILES : COC1=CC2=C(C=C1)NC(=C2)C(=O)O
 
 
Thermal Properties Value Condition Note
Melting Point 200 °C   (7)IC
Melting Point 199-201 °C   (3)CAS
Melting Point 196-197 °C   (8)CAS
Melting Point 196 °C   (9)CAS
Melting Point 196 °C   (10)CAS
Melting Point 143 °C Solv: isopropyl ether (108-20-3) (2)CAS

Specification

98%

References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (2) Beccalli, Egle M.; Journal of Organic Chemistry 2010, V75(20), P6923-6932 CAPLUS
  3. (3) Coowar, Djalil; Journal of Medicinal Chemistry 2004, V47(25), P6270-6282 CAPLUS
  4. (4) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  5. (5) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  6. (6) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  7. (7) Cruces, M. A.; European Journal of Medicinal Chemistry 1990, V25(3), P257-65 CAPLUS
  8. (8) Blaikie, K. G.; Journal of the Chemical Society, Transactions 1924, V125, P296-335 CAPLUS
  9. (9) Amorosa, Michele; Gazz. chim. 1955, V85, P1445-8 CAPLUS
  10. (10) Kralt, T.; Recueil des Travaux Chimiques des Pays-Bas 1961, V80, P313-24 CAPLUS
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