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78350-50-2 | 4-Amino-1,2,5-oxadiazole-3-carboxylic acid
CAS No: 78350-50-2 Catalog No: AG003KNF MDL No:MFCD00235172
Product Description
Catalog Number:
AG003KNF
Chemical Name:
4-Amino-1,2,5-oxadiazole-3-carboxylic acid
CAS Number:
78350-50-2
Molecular Formula:
C3H3N3O3
Molecular Weight:
129.0742
MDL Number:
MFCD00235172
IUPAC Name:
4-amino-1,2,5-oxadiazole-3-carboxylic acid
InChI:
InChI=1S/C3H3N3O3/c4-2-1(3(7)8)5-9-6-2/h(H2,4,6)(H,7,8)
InChI Key:
YOXIXLVJYMCCIB-UHFFFAOYSA-N
SMILES:
Nc1nonc1C(=O)O
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.017g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
129.075g/mol
Monoisotopic Mass:
129.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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