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CAS Number: 82104-74-3
1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile

Structure

 1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile
Name: 1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile
Synonyms:
General Information
Product Number: 82104743

CAS Registry Number 82104-74-3
Name:
5-?Isobenzofurancarboni?trile, 1,?3-?dihydro-?1-?oxo-
1-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile
5-Cyanophthalide

 

Chemical Formula: C9H5NO2
Exact Mass: 159.03
Molecular Weight: 159.14
m/z: 159.03 (100.0%), 160.04 (9.9%)

 

InChI:InChI=1S/C9H5NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,5H2

InChI Key:XEEGWTLAFIZLSF-UHFFFAOYSA-N

Canonical SMILES:C1C2=C(C=CC(=C2)C#N)C(=O)O1

 

Thermal Properties Value Condition Note
Melting Point 202 °C   (3)CAS

Specification

98%
References
  1. (3) Tirouflet, Jean; Bull. soc sci. Bretagne Spec. 1951, VNo. 26, P35-43 CAPLUS
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