53736-70-2
5-(2-HYDROXY-3-PHENOXYPROPOXY)-2-(1H-TETRAZOL-5-YL)-4H-1-BENZOPYRAN-4-ONE
Name5-(2-HYDROXY-3-PHENOXYPROPOXY)-2-(1H-TETRAZOL-5-YL)-4H-1-BENZOPYRAN-4-ONE
1Identification
【Name】
5-(2-HYDROXY-3-PHENOXYPROPOXY)-2-(1H-TETRAZOL-5-YL)-4H-1-BENZOPYRAN-4-ONE
【CAS】
【MDL】
MFCD01937539
【English Synonyms】
【Formula】
C19 H16 N4 O5
【MolWeight】
380.358
【Inchi】
InChI=1S/C19H16N4O5/c24-12(10-26-13-5-2-1-3-6-13)11-27-15-7-4-8-16-18(15)14(25)9-17(28-16)19-20-22-23-21-19/h1-9,12,24H,10-11H2,(H,20,21,22,23)
【InChIKey】
InChIKey=CCOFWSKESGMMNT-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)OCC(COc2cccc3c2c(=O)cc(o3)c4[nH]nnn4)O
【MOL File】
5-(2-HYDROXY-3-PHENO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(2-HYDROXY-3-PHENOXYPROPOXY)-2-(1H-TETRAZOL-5-YL)-4H-1-BENZOPYRAN-4-ONE.cml