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CAS Number: 16800-68-3
1-acetylindolin-3-one

Structure

1-acetylindolin-3-one
Name: 1-acetylindolin-3-one
Synonyms:
General Information
Product Number: 16800683

CAS Registry Number 16800-68-3
Name:
3H-?Indol-?3-?one, 1-?acetyl-?1,?2-?dihydro-
3-Indolinone, 1-acetyl- (8CI)
Pseudoindoxyl, 1-acetyl- (6CI)
1-Acetyl-1,2-dihydro-3H-indol-3-one
1-Acetyl-1,2-dihydroindol-3-one
1-Acetyl-3-indolinone

 

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/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3

InChI Key:AUMJJQZNOVOCGY-UHFFFAOYSA-N

Canonical SMILES:CC(=O)N1CC(=O)C2=CC=CC=C21

 

Thermal Properties Value Condition Note
Melting Point 135-140 °C   (6)IC
Melting Point 134-137 °C Solv: benzene (71-43-2) (2)IC
Melting Point 134-136 °C Solv: benzene (71-43-2) (3)IC
Melting Point 133-134 °C Solv: ethanol (64-17-5); water (7732-18-5) (7)IC
Melting Point 130-132 °C Solv: isopropyl ether (108-20-3) (1)IC

Specification

98%

References
  1. (1) Hino, Tohru; Chemical & Pharmaceutical Bulletin 1982, V30(7), P2349-56 CAPLUS
  2. (2) Chien, Chun Sheng; Chemical & Pharmaceutical Bulletin 1984, V32(10), P3945-51 CAPLUS
  3. (3) Chien, Chun Sheng; Chemical & Pharmaceutical Bulletin 1985, V33(5), P1843-8 CAPLUS
  4. (6) Sugasawa, Tsutomu; Journal of Organic Chemistry 1979, V44(4), P578-86 CAPLUS
  5. (7) Torii, Sigeru; Journal of Organic Chemistry 1978, V43(14), P2882-5 CAPLUS
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