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Home > Pyridines > 873685-82-6
873685-82-6 | 2,4(1H,3H)-Pyrimidinedione, compd. with 2(1H)-pyridinone (1:1)
CAS No: 873685-82-6 Catalog No: AG004HFR MDL No:
Product Description
Catalog Number:
AG004HFR
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, compd. with 2(1H)-pyridinone (1:1)
CAS Number:
873685-82-6
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
IUPAC Name:
1H-pyridin-2-one;1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C5H5NO.C4H4N2O2/c7-5-3-1-2-4-6-5;7-3-1-2-5-4(8)6-3/h1-4H,(H,6,7);1-2H,(H2,5,6,7,8)
InChI Key:
DPHMYLYDAIFBAG-UHFFFAOYSA-N
SMILES:
O=c1cc[nH]c(=O)[nH]1.O=c1cccc[nH]1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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