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165611-04-1 | 3-Carbamido-7-phenylisoxazolo(4,5-d)pyrimidine 6-N-oxide
CAS No: 165611-04-1 Catalog No: AG00AWJN MDL No:
Product Description
Catalog Number:
AG00AWJN
Chemical Name:
3-Carbamido-7-phenylisoxazolo(4,5-d)pyrimidine 6-N-oxide
CAS Number:
165611-04-1
IUPAC Name:
6-oxido-7-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-ium-3-carboxamide
InChI:
InChI=1S/C12H8N4O3/c13-12(17)9-8-11(19-15-9)10(16(18)6-14-8)7-4-2-1-3-5-7/h1-6H,(H2,13,17)
InChI Key:
FZKFKOYCTUYKFC-UHFFFAOYSA-N
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.06g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.221g/mol
Monoisotopic Mass:
256.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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