7455-91-6
3-(4-OXOQUINAZOLIN-3(4H)-YL)PROPANENITRILE
Name3-(4-OXOQUINAZOLIN-3(4H)-YL)PROPANENITRILE
1Identification
【Name】
3-(4-OXOQUINAZOLIN-3(4H)-YL)PROPANENITRILE
【CAS】
【MDL】
MFCD04119862
【English Synonyms】
【Formula】
C11 H9 N3 O
【MolWeight】
199.212
【Inchi】
InChI=1S/C11H9N3O/c12-6-3-7-14-8-13-10-5-2-1-4-9(10)11(14)15/h1-2,4-5,8H,3,7H2
【InChIKey】
InChIKey=PPNCDUJYUDSEKY-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c(=O)n(cn2)CCC#N
【MOL File】
3-(4-OXOQUINAZOLIN-3….mol
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
3-(4-OXOQUINAZOLIN-3(4H)-YL)PROPANENITRILE.cml