57621-04-2
2-ACETYL-6,7-DIMETHOXY-1-METHYLENE-1,2,3,4-TETRAHYDROISOQUINOLINE
Name2-ACETYL-6,7-DIMETHOXY-1-METHYLENE-1,2,3,4-TETRAHYDROISOQUINOLINE
1Identification
【Name】
2-ACETYL-6,7-DIMETHOXY-1-METHYLENE-1,2,3,4-TETRAHYDROISOQUINOLINE
【CAS】
【MDL】
MFCD01863276
【English Synonyms】
【Formula】
C14 H17 N O3
【MolWeight】
247.292
【Inchi】
InChI=1S/C14H17NO3/c1-9-12-8-14(18-4)13(17-3)7-11(12)5-6-15(9)10(2)16/h7-8H,1,5-6H2,2-4H3
【InChIKey】
InChIKey=JRMQVUQWPOMMAD-UHFFFAOYSA-N
【SMILES】
CC(=O)N1CCc2cc(c(cc2C1=C)OC)OC
【MOL File】
2-ACETYL-6,7-DIMETHO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-ACETYL-6,7-DIMETHOXY-1-METHYLENE-1,2,3,4-TETRAHYDROISOQUINOLINE.cml