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CAS Number: 25724-79-2
1-oxo-2,3-dihydro-1H-indene-5-carbonitrile

Structure

 1-oxo-2,3-dihydro-1H-indene-5-carbonitrile
Name: 1-oxo-2,3-dihydro-1H-indene-5-carbonitrile
Synonyms:
General Information
Product Number: 25724792

CAS Registry Number 25724-79-2
Name:
1H-?Indene-?5-?carbonitrile, 2,?3-?dihydro-?1-?oxo-
5-Indancarbonitrile, 1-oxo- (7CI,8CI)
1-Oxoindan-5-carbonitrile
1-Oxoindane-5-carbonitrile
5-Cyano-1-indanone
5-Isocyano-2,3-dihydroinden-1-one

 

Chemical Formula: C10H7NO
Exact Mass: 157.05
Molecular Weight: 157.17
m/z: 157.05 (100.0%), 158.06 (10.9%)

 

InChI:InChI=1S/C10H7NO/c11-6-7-1-3-9-8(5-7)2-4-10(9)12/h1,3,5H,2,4H2

InChI Key:CAJDYMAFIOUARK-UHFFFAOYSA-N

Canonical SMILES:C1CC(=O)C2=C1C=C(C=C2)C#N

 

Thermal Properties Value Condition Note
Melting Point 131.5-132.8 °C   (2)CAS
Melting Point 131-132 °C   (3)IC
Melting Point 128-130 °C   (1)CAS

Specification

98%
References
  1. (1) Lee, Jeewoo; Bioorganic & Medicinal Chemistry 2004, V12(2), P371-385 CAPLUS
  2. (2) Ortega, Raquel; Bioorganic & Medicinal Chemistry Letters 2011, V21(9), P2670-2674 CAPLUS
  3. (3) Murray, Robert J.; Journal of Organic Chemistry 1976, V41(22), P3540-5 CAPLUS
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