96898-32-7
1,4-DIHYDRO-[1,2,4,5]TETRAZINE-3,6-DICARBOXYLIC ACID, DISODIUM SALT
Name1,4-DIHYDRO-[1,2,4,5]TETRAZINE-3,6-DICARBOXYLIC ACID, DISODIUM SALT
FormulaC4 H2 N4 O4 . 2 Na
1Identification
【Name】
1,4-DIHYDRO-[1,2,4,5]TETRAZINE-3,6-DICARBOXYLIC ACID, DISODIUM SALT
【CAS】
【MDL】
MFCD00276484
【English Synonyms】
【Formula】
C4 H2 N4 O4 . 2 Na
【MolWeight】
216.064
【Inchi】
InChI=1S/C4H4N4O4.2Na/c9-3(10)1-5-7-2(4(11)12)8-6-1;;/h(H,5,6)(H,7,8)(H,9,10)(H,11,12);;/q;2*+1/p-2
【InChIKey】
InChIKey=NEJQRCMKIAPUCX-UHFFFAOYSA-L
【SMILES】
C1(=NNC(=NN1)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
【MOL File】
1,4-DIHYDRO-[1,2,4,5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-DIHYDRO-[1,2,4,5]TETRAZINE-3,6-DICARBOXYLIC ACID, DISODIUM SALT.cml