76239-31-1
8-(3-METHYLBUTOXY)-3-(1H-TETRAZOL-5-YL)-2H-1-BENZOPYRAN-2-ONE
Name8-(3-METHYLBUTOXY)-3-(1H-TETRAZOL-5-YL)-2H-1-BENZOPYRAN-2-ONE
1Identification
【Name】
8-(3-METHYLBUTOXY)-3-(1H-TETRAZOL-5-YL)-2H-1-BENZOPYRAN-2-ONE
【CAS】
【MDL】
MFCD01762860
【English Synonyms】
【Formula】
C15 H16 N4 O3
【MolWeight】
300.316
【Inchi】
InChI=1S/C15H16N4O3/c1-9(2)6-7-21-12-5-3-4-10-8-11(14-16-18-19-17-14)15(20)22-13(10)12/h3-5,8-9H,6-7H2,1-2H3,(H,16,17,18,19)
【InChIKey】
InChIKey=CPDXABQMCZMDKE-UHFFFAOYSA-N
【SMILES】
CC(C)CCOc1cccc2c1oc(=O)c(c2)c3[nH]nnn3
【MOL File】
8-(3-METHYLBUTOXY)-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-(3-METHYLBUTOXY)-3-(1H-TETRAZOL-5-YL)-2H-1-BENZOPYRAN-2-ONE.cml