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CAS Number: 61394-92-1
2,3-dioxoindoline-5-carbonitrile

Structure

 2,3-dioxoindoline-5-carbonitrile
Name: 2,3-dioxoindoline-5-carbonitrile
Synonyms:
General Information
Product Number: 61394921

CAS Registry Number 61394-92-1
Name:
1H-?Indole-?5-?carbonitrile, 2,?3-?dihydro-?2,?3-?dioxo-
5-Cyanoisatin

 

Chemical Formula: C9H4N2O2
Exact Mass: 172.03
Molecular Weight: 172.14
m/z: 172.03 (100.0%), 173.03 (9.9%)

 

InChI:InChI=1S/C9H4N2O2/c10-4-5-1-2-7-6(3-5)8(12)9(13)11-7/h1-3H,(H,11,12,13)

InChI Key:FTNCNIBQOCAFOV-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1C#N)C(=O)C(=O)N2

 

Thermal Properties Value Condition Note
Melting Point 273-274 °C (decomp)   (3)IC
Melting Point 270-272 °C (decomp)   (2)ACD

Specification

98%
References
  1. (2) Gassman, Paul G.; Journal of Organic Chemistry 1977, V42(8), P1344-8 CAPLUS
  2. (3) Gassman, Paul G.; Journal of Organic Chemistry 1979, V44(4), P628-9 CAPLUS
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