51291-82-8
5-METHOXY-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
Name5-METHOXY-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
1Identification
【Name】
5-METHOXY-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
【CAS】
【MDL】
MFCD09955586
【English Synonyms】
【Formula】
C3 H5 N3 O2
【MolWeight】
115.091
【Inchi】
InChI=1S/C3H5N3O2/c1-8-3-4-2(7)5-6-3/h1H3,(H2,4,5,6,7)
【InChIKey】
InChIKey=ZDINYQOPDQBHQW-UHFFFAOYSA-N
【SMILES】
COc1[nH]c(=O)[nH]n1
【MOL File】
5-METHOXY-2,4-DIHYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHOXY-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE.cml