Chemical Compound
5-(3,5-dimethoxyphenyl)-3-oxopentanenitrile
CAS Registry Number1000895-54-4
Primary record
5-(3,5-dimethoxyphenyl)-3-oxopentanenitrile
- CAS
- 1000895-54-4
- PubChem CID
- 58016738
- SMILES
- COC1=CC(=CC(=C1)CCC(=O)CC#N)OC
- Molecular Formula
- C13H15NO3
- Molecular Weight
- 233.267
- Exact Mass
- 233.1052
- InChI
- InChI=1S/C13H15NO3/c1-16-12-7-10(8-13(9-12)17-2)3-4-11(15)5-6-14/h7-9H,3-5H2,1-2H3
- InChIKey
- KPKKZOWRRVLKFS-UHFFFAOYSA-N
- LogP
- 2.1192
- TPSA
- 59.32
Names and synonyms
- 5-(3,5-dimethoxyphenyl)-3-oxopentanenitrile
- 1000895-54-4
- MFCD22199282
- C13H15NO3
- SCHEMBL13574164
- DTXSID60728632
- AMY16679
- 0084AA
- Benzenepentanenitrile, 3,5-dimethoxy-beta-oxo-
- QC-802
- ZINC77011500
- 3,5-Dimethoxy-b-oxo-benzenepentanenitrile
- AC-30364
- WS-02499
- AJ-122330
- DB-349606
- CS-0439560
- FT-0686314
- Benzenepentanenitrile, 3,5-dimethoxy-|A-oxo-
- J3.749.881E
- 5-(3,5-dimethoxyphenyl)-3-oxo-pentanenitrile
- W19405
- A1018313