872473-70-6
2-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-4,5-DIMETHYLFURAN-3-CARBONITRILE
Name2-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-4,5-DIMETHYLFURAN-3-CARBONITRILE
1Identification
【Name】
2-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-4,5-DIMETHYLFURAN-3-CARBONITRILE
【CAS】
【MDL】
MFCD05625819
【English Synonyms】
【Formula】
C14 H14 N2 O2
【MolWeight】
242.277
【Inchi】
InChI=1S/C14H14N2O2/c1-8-5-12(7-17)10(3)16(8)14-13(6-15)9(2)11(4)18-14/h5,7H,1-4H3
【InChIKey】
InChIKey=FPCJBOFNZMKRGK-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(n1c2c(c(c(o2)C)C)C#N)C)C=O
【MOL File】
2-(3-FORMYL-2,5-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-4,5-DIMETHYLFURAN-3-CARBONITRILE.cml