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CAS Number: 59022-71-8
4,7-dimethylindolin-2-one

Structure

 4,7-dimethylindolin-2-one
Name: 4,7-dimethylindolin-2-one
Synonyms:
General Information
Product Number: 59022718

CAS Registry Number 59022-71-8
Name:
2H-?Indol-?2-?one, 1,?3-?dihydro-?4,?7-?dimethyl-
4,7-Dimethyl-2-indolinone

 

Chemical Formula: C10H11NO
Exact Mass: 161.08
Molecular Weight: 161.20
m/z: 161.08 (100.0%), 162.09 (11.0%)

 

InChI:InChI=1S/C10H11NO/c1-6-3-4-7(2)10-8(6)5-9(12)11-10/h3-4H,5H2,1-2H3,(H,11,12)

InChI Key:LYOYXDJRQJTKJI-UHFFFAOYSA-N

Canonical SMILES:CC1=C2CC(=O)NC2=C(C=C1)C

 

Thermal Properties Value Condition Note
Boiling Point 205-210 °C Press: 15 Torr (1)CAS
Boiling Point 200 °C Press: 16 Torr (2)CAS
Melting Point 204.5 °C Solv: ethanol (64-17-5); water (7732-18-5) (3)IC
Melting Point 159 °C   (2)CAS
Melting Point 159 °C   (1)CAS

Specification

98%
References
  1. (1) Wahl, A.; Bulletin de la Societe Chimique de France, Memoires 1938, V5, P653-66 CAPLUS
  2. (2) Livovschi, Victor; Compt. rend. 1935, V201, P217-19 CAPLUS
  3. (3) Kornet, Milton J.; Journal of Medicinal Chemistry 1976, V19(7), P892-8 CAPLUS
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