866393-55-7
METHYL 2-METHYL-8-OXO-5,6,7,8-TETRAHYDRO-1-OXA-7A-AZAINDACENE-4-CARBOXYLATE
NameMETHYL 2-METHYL-8-OXO-5,6,7,8-TETRAHYDRO-1-OXA-7A-AZAINDACENE-4-CARBOXYLATE
1Identification
【Name】
METHYL 2-METHYL-8-OXO-5,6,7,8-TETRAHYDRO-1-OXA-7A-AZAINDACENE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD08437384
【English Synonyms】
【Formula】
C13 H13 N O4
【MolWeight】
247.249
【Inchi】
InChI=1S/C13H13NO4/c1-7-6-8-10(13(16)17-2)9-4-3-5-14(9)12(15)11(8)18-7/h6H,3-5H2,1-2H3
【InChIKey】
InChIKey=HDYOSEOUPGWXAC-UHFFFAOYSA-N
【SMILES】
Cc1cc2c(c3n(c(=O)c2o1)CCC3)C(=O)OC
【MOL File】
METHYL 2-METHYL-8-OX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 2-METHYL-8-OXO-5,6,7,8-TETRAHYDRO-1-OXA-7A-AZAINDACENE-4-CARBOXYLATE.cml