5219-02-3
2-(4-METHOXYPHENYL)-3-OXOHEXANENITRILE
Name
2-(4-METHOXYPHENYL)-3-OXOHEXANENITRILE
Formula
C13 H15 N O2
MolWeight
217.266
1Identification
【Name】
2-(4-METHOXYPHENYL)-3-OXOHEXANENITRILE
【CAS】
【MDL】
MFCD11208670
【English Synonyms】
【Formula】
C13 H15 N O2
【MolWeight】
217.266
【Inchi】
InChI=1S/C13H15NO2/c1-3-4-13(15)12(9-14)10-5-7-11(16-2)8-6-10/h5-8,12H,3-4H2,1-2H3
【InChIKey】
InChIKey=MQHPWRGDEHONJH-UHFFFAOYSA-N
【SMILES】
CCCC(=O)C(C#N)c1ccc(cc1)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-METHOXYPHENYL)-3-OXOHEXANENITRILE.cml
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