524-15-2
GAMMA-FAGARINE
Name
GAMMA-FAGARINE
Formula
C13 H11 N O3
MolWeight
229.234
1Identification
【Name】
GAMMA-FAGARINE
【CAS】
【MDL】
MFCD00582421
【English Synonyms】
【Formula】
C13 H11 N O3
【MolWeight】
229.234
【Inchi】
InChI=1S/C13H11NO3/c1-15-10-5-3-4-8-11(10)14-13-9(6-7-17-13)12(8)16-2/h3-7H,1-2H3
【InChIKey】
InChIKey=KFBCTNNQFGONHB-UHFFFAOYSA-N
【SMILES】
COc1cccc2c1nc3c(c2OC)cco3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
GAMMA-FAGARINE.cml
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