76239-28-6
8-(1-METHYLETHOXY)-3-(1H-TETRAZOL-5-YL)-2H-1-BENZOPYRAN-2-ONE
Name8-(1-METHYLETHOXY)-3-(1H-TETRAZOL-5-YL)-2H-1-BENZOPYRAN-2-ONE
1Identification
【Name】
8-(1-METHYLETHOXY)-3-(1H-TETRAZOL-5-YL)-2H-1-BENZOPYRAN-2-ONE
【CAS】
【MDL】
MFCD01762863
【English Synonyms】
【Formula】
C13 H12 N4 O3
【MolWeight】
272.263
【Inchi】
InChI=1S/C13H12N4O3/c1-7(2)19-10-5-3-4-8-6-9(12-14-16-17-15-12)13(18)20-11(8)10/h3-7H,1-2H3,(H,14,15,16,17)
【InChIKey】
InChIKey=ABALKWVZXVLIQJ-UHFFFAOYSA-N
【SMILES】
CC(C)Oc1cccc2c1oc(=O)c(c2)c3[nH]nnn3
【MOL File】
8-(1-METHYLETHOXY)-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-(1-METHYLETHOXY)-3-(1H-TETRAZOL-5-YL)-2H-1-BENZOPYRAN-2-ONE.cml