24966-30-1
2-(2H-1,3-BENZODIOXOL-5-YL)-3-OXOBUTANENITRILE
Name
2-(2H-1,3-BENZODIOXOL-5-YL)-3-OXOBUTANENITRILE
Formula
C11 H9 N O3
MolWeight
203.196
1Identification
【Name】
2-(2H-1,3-BENZODIOXOL-5-YL)-3-OXOBUTANENITRILE
【CAS】
【MDL】
MFCD11208726
【English Synonyms】
【Formula】
C11 H9 N O3
【MolWeight】
203.196
【Inchi】
InChI=1S/C11H9NO3/c1-7(13)9(5-12)8-2-3-10-11(4-8)15-6-14-10/h2-4,9H,6H2,1H3
【InChIKey】
InChIKey=PZRYREKIARPSKJ-UHFFFAOYSA-N
【SMILES】
CC(=O)C(C#N)c1ccc2c(c1)OCO2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2H-1,3-BENZODIOXOL-5-YL)-3-OXOBUTANENITRILE.cml
Quick Release
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