582297-82-3
(2,6-DIETHYL-3,5-DIMETHYL-4H-PYRAN-4-YLIDENE)-PROPANEDINITRILE
Name(2,6-DIETHYL-3,5-DIMETHYL-4H-PYRAN-4-YLIDENE)-PROPANEDINITRILE
1Identification
【Name】
(2,6-DIETHYL-3,5-DIMETHYL-4H-PYRAN-4-YLIDENE)-PROPANEDINITRILE
【CAS】
【MDL】
MFCD18832251
【English Synonyms】
【Formula】
C14 H16 N2 O
【MolWeight】
228.293
【Inchi】
InChI=1S/C14H16N2O/c1-5-12-9(3)14(11(7-15)8-16)10(4)13(6-2)17-12/h5-6H2,1-4H3
【InChIKey】
InChIKey=LMRBTJXTDRXQTD-UHFFFAOYSA-N
【SMILES】
CCC1=C(C(=C(C#N)C#N)C(=C(O1)CC)C)C
【MOL File】
(2,6-DIETHYL-3,5-DIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2,6-DIETHYL-3,5-DIMETHYL-4H-PYRAN-4-YLIDENE)-PROPANEDINITRILE.cml