50743-48-1
6-METHYL-3-(1H-TETRAZOL-5-YL)-4H-CHROMEN-4-ONE
Name6-METHYL-3-(1H-TETRAZOL-5-YL)-4H-CHROMEN-4-ONE
1Identification
【Name】
6-METHYL-3-(1H-TETRAZOL-5-YL)-4H-CHROMEN-4-ONE
【CAS】
【MDL】
MFCD01416661
【English Synonyms】
【Formula】
C11 H8 N4 O2
【MolWeight】
228.21
【Inchi】
InChI=1S/C11H8N4O2/c1-6-2-3-9-7(4-6)10(16)8(5-17-9)11-12-14-15-13-11/h2-5H,1H3,(H,12,13,14,15)
【InChIKey】
InChIKey=VVCVSDJCXCPMPC-UHFFFAOYSA-N
【SMILES】
Cc1ccc2c(c1)c(=O)c(co2)c3[nH]nnn3
【MOL File】
6-METHYL-3-(1H-TETRA….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
6-METHYL-3-(1H-TETRAZOL-5-YL)-4H-CHROMEN-4-ONE.cml