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919290-03-2 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-oxazolidinylidene)-
CAS No: 919290-03-2 Catalog No: AG006JX2 MDL No:
Product Description
Catalog Number:
AG006JX2
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-oxazolidinylidene)-
CAS Number:
919290-03-2
Molecular Formula:
C7H7N3O4
Molecular Weight:
197.1482
IUPAC Name:
5-(4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxy-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C7H7N3O4/c11-4-3(6-8-1-2-14-6)5(12)10-7(13)9-4/h1-2H2,(H3,9,10,11,12,13)
InChI Key:
KQUTXABXSDLDFB-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=C2NCCO2)C(=O)N1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
197.15g/mol
Monoisotopic Mass:
197.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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