866038-49-5
METHYL 2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)ACETATE
NameMETHYL 2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)ACETATE
1Identification
【Name】
METHYL 2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)ACETATE
【CAS】
【MDL】
MFCD04125579
【English Synonyms】
【Formula】
C11 H11 N O4
【MolWeight】
221.211
【Inchi】
InChI=1S/C11H11NO4/c1-15-11(14)5-7-2-3-9-8(4-7)12-10(13)6-16-9/h2-4H,5-6H2,1H3,(H,12,13)
【InChIKey】
InChIKey=BSLHZQGTOQQCMK-UHFFFAOYSA-N
【SMILES】
COC(=O)Cc1ccc2c(c1)NC(=O)CO2
【MOL File】
METHYL 2-(3-OXO-3,4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)ACETATE.cml