1,2,5-Oxadiazole-3-carboxylic acid, 4-amino-, methyl ester


Chemical Name: 1,2,5-Oxadiazole-3-carboxylic acid, 4-amino-, methyl ester
CAS Number: 159013-94-2
Product Number: AG001QF9(AGN-PC-0KBM1Q)
Synonyms:
MDL No:
Molecular Formula: C4H5N3O3
Molecular Weight: 143.1008

Identification/Properties


Computed Properties
Molecular Weight:
143.102g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
143.033g/mol
Monoisotopic Mass:
143.033g/mol
Topological Polar Surface Area:
91.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
140
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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