3-Cyano-4-methylcoumarin is a 3-substituted 4-methylcoumarin derivative. Its structural properties, vibrational frequencies and electronic spectra has been studied by density functional theory (DFT). It has been reported to be formed during the Knoevenagel condensation of o-hydroxyacetophenone with ethyl cyanoacetate catalyzed by calcined Mg-Al hydrotalcite. Synthesis of 3-cyano-4-methylcoumarin, via condensation of o-hydroxyacetophenone with ethyl cyanoacetate in the presence of sodium ethylate, has been reported.
Specifications and Purity: ≥97%
MDL Number: MFCD00486386
Molecular Formula: C11H7NO2
Molecular Weight: 185.18
PubChem CID: 231146
Isomeric SMILES: CC1=C(C(=O)OC2=CC=CC=C12)C#N
Related Documents: https://aladdin-for-icloud-store.oss-cn-hangzhou.aliyuncs.com/aladdinsci/pdp/sds/1/C168975-SCI_cc17dd113de6279817c835dd3a0f7563.pdf
- UPC:
- 51141509
- Condition:
- New
- HazmatClass:
- No
- WeightUOM:
- LB
- MPN:
- C168975-5g
- CAS:
- 24526-69-0
- Product Size:
- 5g
- Hazard Statement Codes:
- H312:H302
- Precautionary Statement Codes:
- P501:P362+P364:P304+P340:P302+P352:P301+P312:P330:P280:P271:P270:P264:P261
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