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82241-24-5 | 4H-Pyrimido[5,4-d][1,3]oxazine-4,6,8(5H,7H)-trione, 2-phenyl-
CAS No: 82241-24-5 Catalog No: AG00500M MDL No:
Product Description
Catalog Number:
AG00500M
Chemical Name:
4H-Pyrimido[5,4-d][1,3]oxazine-4,6,8(5H,7H)-trione, 2-phenyl-
CAS Number:
82241-24-5
Molecular Formula:
C12H7N3O4
Molecular Weight:
257.2017
IUPAC Name:
2-phenyl-5H-pyrimido[5,4-d][1,3]oxazine-4,6,8-trione
InChI:
InChI=1S/C12H7N3O4/c16-9-7-8(14-12(18)15-9)11(17)19-10(13-7)6-4-2-1-3-5-6/h1-5H,(H2,14,15,16,18)
InChI Key:
MAOQAZSDLZKCJJ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c([nH]1)c(=O)oc(n2)c1ccccc1
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.205g/mol
Monoisotopic Mass:
257.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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