534571-96-5
METHYL 2-CYANO-4-METHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLATE
NameMETHYL 2-CYANO-4-METHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLATE
1Identification
【Name】
METHYL 2-CYANO-4-METHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLATE
【CAS】
【MDL】
MFCD12911970
【English Synonyms】
【Formula】
C12 H12 N2 O3
【MolWeight】
232.238
【Inchi】
InChI=1S/C12H12N2O3/c1-14-7-9(6-13)17-11-4-3-8(5-10(11)14)12(15)16-2/h3-5,9H,7H2,1-2H3
【InChIKey】
InChIKey=KVBGJBUINNSQMM-UHFFFAOYSA-N
【SMILES】
CN1CC(Oc2c1cc(cc2)C(=O)OC)C#N
【MOL File】
METHYL 2-CYANO-4-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 2-CYANO-4-METHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLATE.cml