956370-25-5
2-[2-(3,4-DIMETHOXY-PHENYL)-6-METHYL-CHROMEN-4-YLIDENEAMINO]-BUTYRIC ACID
Name2-[2-(3,4-DIMETHOXY-PHENYL)-6-METHYL-CHROMEN-4-YLIDENEAMINO]-BUTYRIC ACID
1Identification
【Name】
2-[2-(3,4-DIMETHOXY-PHENYL)-6-METHYL-CHROMEN-4-YLIDENEAMINO]-BUTYRIC ACID
【CAS】
【MDL】
MFCD04610260
【English Synonyms】
【Formula】
C22 H23 N O5
【MolWeight】
381.426
【Inchi】
InChI=1S/C22H23NO5/c1-5-16(22(24)25)23-17-12-20(28-18-8-6-13(2)10-15(17)18)14-7-9-19(26-3)21(11-14)27-4/h6-12,16H,5H2,1-4H3,(H,24,25)/b23-17+
【InChIKey】
InChIKey=MSOJOKQYWZTZTD-HAVVHWLPSA-N
【SMILES】
CCC(C(=O)O)/N=c/1\cc(oc2c1cc(cc2)C)c3ccc(c(c3)OC)OC
【MOL File】
2-[2-(3,4-DIMETHOXY-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[2-(3,4-DIMETHOXY-PHENYL)-6-METHYL-CHROMEN-4-YLIDENEAMINO]-BUTYRIC ACID.cml