116419-36-4
(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)ACETIC ACID
Name
(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)ACETIC ACID
Formula
C4 H4 N4 O4
MolWeight
172.1
1Identification
【Name】
(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)ACETIC ACID
【CAS】
【MDL】
MFCD00297307
【English Synonyms】
【Formula】
C4 H4 N4 O4
【MolWeight】
172.1
【Inchi】
InChI=1S/C4H4N4O4/c9-3(10)1-7-2-5-4(6-7)8(11)12/h2H,1H2,(H,9,10)
【InChIKey】
InChIKey=JNJSKDYVVRMEPN-UHFFFAOYSA-N
【SMILES】
c1nc(nn1CC(=O)O)[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)ACETIC ACID.cml
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