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CAS Number: 90734-97-7
4-methoxy-1H-indole-3-carbaldehyde

Structure

4-methoxy-1H-indole-3-carbaldehyde
Name: 4-methoxy-1H-indole-3-carbaldehyde
Synonyms:
General Information
Product Number: 90734977

CAS Registry Number 90734-97-7
Name:
1H-​Indole-​3-​carboxaldehyde, 4-​methoxy-
3-Formyl-4-methoxyindole
4-Methoxy-1H-indole-3-carboxaldehyde
4-Methoxy-3-indolecarboxaldehyde

 

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/c1-13-9-4-2-3-8-10(9)7(6-12)5-11-8/h2-6,11H,1H3

InChI Key:GDVCEQRAPMIJBG-UHFFFAOYSA-N

Canonical SMILES:COC1=CC=CC2=C1C(=CN2)C=O

 

Thermal Properties Value Condition Note
Melting Point 162-163 °C   (3)CAS
Melting Point 162-163 °C   (8)IC
Melting Point 162-163 °C Solv: methanol (67-56-1) (9)IC
Melting Point 156 °C   (4)IC
Melting Point 156 °C Solv: methanol (67-56-1) (6)IC
Melting Point 154-156 °C Solv: ethyl acetate (141-78-6) (5)CAS

Specification

98%

References
  1. (3) Coowar, Djalil; Journal of Medicinal Chemistry 2004, V47(25), P6270-6282 CAPLUS
  2. (4) Pindur, Ulf; Archiv der Pharmazie (Weinheim, Germany) 1990, V323(7), P427-32 CAPLUS
  3. (5) Butini, Stefania; Journal of Medicinal Chemistry 2009, V52(1), P151-169 CAPLUS
  4. (6) Pindur, Ulf; Monatshefte fuer Chemie 1990, V121(1), P77-80 CAPLUS
  5. (8) Somei, Masanori; Heterocycles 1986, V24(11), P3065-9 CAPLUS
  6. (9) Somei, Masanori; Heterocycles 1984, V22(4), P797-801 CAPLUS
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