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1196-43-6 | 1H-Purine-2,6-dione, 3,9-dihydro-, sodium salt (1:1)
CAS No: 1196-43-6 Catalog No: AG000P9J MDL No:MFCD00069699
Product Description
Catalog Number:
AG000P9J
Chemical Name:
1H-Purine-2,6-dione, 3,9-dihydro-, sodium salt (1:1)
CAS Number:
1196-43-6
Molecular Formula:
C5H4N4NaO2
Molecular Weight:
175.1006
MDL Number:
MFCD00069699
IUPAC Name:
3,7-dihydropurine-2,6-dione;sodium
InChI:
InChI=1S/C5H4N4O2.Na/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H3,6,7,8,9,10,11);
InChI Key:
JFYSPQOGGYXMRQ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c([nH]1)[nH]cn2.[Na]
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
175.103g/mol
Monoisotopic Mass:
175.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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