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35629-60-8 | 3-phenyl-2h-[1,3]oxazolo[3,2-a][1,3,5]triazine-2,4(3h)-dione
CAS No: 35629-60-8 Catalog No: AG0079ZF MDL No:
Product Description
Catalog Number:
AG0079ZF
Chemical Name:
3-phenyl-2h-[1,3]oxazolo[3,2-a][1,3,5]triazine-2,4(3h)-dione
CAS Number:
35629-60-8
Molecular Formula:
C11H7N3O3
Molecular Weight:
229.1916
IUPAC Name:
3-phenyl-[1,3]oxazolo[3,2-a][1,3,5]triazine-2,4-dione
InChI:
InChI=1S/C11H7N3O3/c15-9-12-10-13(6-7-17-10)11(16)14(9)8-4-2-1-3-5-8/h1-7H
InChI Key:
ZTPYWDWVXAPMIP-UHFFFAOYSA-N
SMILES:
O=c1nc2occn2c(=O)n1c1ccccc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.049g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.195g/mol
Monoisotopic Mass:
229.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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