CAS Registry Number: 63895-78-3

Name:

Benzeneacetonitrile, α-​acetyl-​4-​methoxy-
Benzeneacetonitrile, α-​acetyl-​4-​methoxy-​, (±)​-; 1-​Cyano-​1-​(4-​methoxyphenyl)​propan-​2-​one; 2-​(4-​Methoxyphenyl)​-​3-​oxobutanenitrile; Acetoacetonitrile, 2-​(p-​methoxyphenyl)​-; NSC 12224 

Deleted CAS Registry Numbers: 5219-​00-​1

Chemical Formula: C11H11NO2
Exact Mass: 189.08
Molecular Weight: 189.21
m/z: 189.08 (100.0%), 190.08 (12.3%)

InChI: InChI=1S/C11H11NO2/c1-8(13)11(7-12)9-3-5-10(14-2)6-4-9/h3-6,11H,1-2H3
InChIKey: RCHYZFMBSVFQPT-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C(C#N)C1=CC=C(C=C1)OC

Specification

98%

1. (1) Katritzky, Alan R.; ARKIVOC (Gainesville, FL, United States) 2007, (3), P5-12 CAPLUS
2. (2) Ruiz, Danila; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy 2010, V77A(2), P485-496 CAPLUS
3. (3) Bankowska, Zofia; Polish Journal of Chemistry 1981, V55(3), P623-30 CAPLUS
4. (4) Rossi, A.; Helvetica Chimica Acta 1960, V43, P1046-56 CAPLUS
5. (5) Muller, Alexander; Journal of Organic Chemistry 1951, V16, P1003-24 CAPLUS