910806-73-4
3-HYDROXY-6-NITRO-2-(3,4,5-TRIMETHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
Name3-HYDROXY-6-NITRO-2-(3,4,5-TRIMETHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
1Identification
【Name】
3-HYDROXY-6-NITRO-2-(3,4,5-TRIMETHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
【CAS】
【MDL】
MFCD09839651
【English Synonyms】
【Formula】
C18 H15 N O8
【MolWeight】
373.315
【Inchi】
InChI=1S/C18H15NO8/c1-24-13-6-9(7-14(25-2)18(13)26-3)17-16(21)15(20)11-8-10(19(22)23)4-5-12(11)27-17/h4-8,21H,1-3H3
【InChIKey】
InChIKey=UAIOULRUOZFYMA-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1OC)OC)c2c(c(=O)c3cc(ccc3o2)[N+](=O)[O-])O
【MOL File】
3-HYDROXY-6-NITRO-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-HYDROXY-6-NITRO-2-(3,4,5-TRIMETHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE.cml