175904-78-6
1,2-DIHYDRO-1-(5-ISOXAZOLYL)-5H-TETRAZOL-5-ONE
Name1,2-DIHYDRO-1-(5-ISOXAZOLYL)-5H-TETRAZOL-5-ONE
1Identification
【Name】
1,2-DIHYDRO-1-(5-ISOXAZOLYL)-5H-TETRAZOL-5-ONE
【CAS】
【MDL】
MFCD18821735
【English Synonyms】
【Formula】
C4 H3 N5 O2
【MolWeight】
153.101
【Inchi】
InChI=1S/C4H3N5O2/c10-4-6-7-8-9(4)3-1-2-5-11-3/h1-2H,(H,6,8,10)
【InChIKey】
InChIKey=NANVFWLFFSDZOP-UHFFFAOYSA-N
【SMILES】
c1cnoc1n2c(=O)nn[nH]2
【MOL File】
1,2-DIHYDRO-1-(5-ISO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2-DIHYDRO-1-(5-ISOXAZOLYL)-5H-TETRAZOL-5-ONE.cml