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178472-30-5 | 5H-1,2,4-Oxadiazolo[4,5-c]pyrimidine (9CI)
CAS No: 178472-30-5 Catalog No: AG00262Z MDL No:
Product Description
Catalog Number:
AG00262Z
Chemical Name:
5H-1,2,4-Oxadiazolo[4,5-c]pyrimidine (9CI)
CAS Number:
178472-30-5
Molecular Formula:
C5H5N3O
Molecular Weight:
123.1127
IUPAC Name:
5H-[1,2,4]oxadiazolo[4,5-c]pyrimidine
InChI:
InChI=1S/C5H5N3O/c1-2-6-3-8-4-7-9-5(1)8/h1-2,4H,3H2
InChI Key:
KWKHQGXRJXXFEX-UHFFFAOYSA-N
SMILES:
C1N=CC=c2n1cno2
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.115g/mol
Monoisotopic Mass:
123.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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