1141487-93-5
4-(5-HYDROXY-4-OXO-2-PHENYL-4H-CHROMEN-7-YLOXY)BUTYL NITRATE
Name4-(5-HYDROXY-4-OXO-2-PHENYL-4H-CHROMEN-7-YLOXY)BUTYL NITRATE
1Identification
【Name】
4-(5-HYDROXY-4-OXO-2-PHENYL-4H-CHROMEN-7-YLOXY)BUTYL NITRATE
【CAS】
【MDL】
MFCD16877623
【English Synonyms】
【Formula】
C19 H17 N O7
【MolWeight】
371.343
【Inchi】
InChI=1S/C19H17NO7/c21-15-10-14(25-8-4-5-9-26-20(23)24)11-18-19(15)16(22)12-17(27-18)13-6-2-1-3-7-13/h1-3,6-7,10-12,21H,4-5,8-9H2
【InChIKey】
InChIKey=PQUYKJOHGKFMRH-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)OCCCCO[N+](=O)[O-])O
【MOL File】
4-(5-HYDROXY-4-OXO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(5-HYDROXY-4-OXO-2-PHENYL-4H-CHROMEN-7-YLOXY)BUTYL NITRATE.cml