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1198-77-2 | 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, sodium salt (1:1)
CAS No: 1198-77-2 Catalog No: AG000PON MDL No:MFCD00067310
Product Description
Catalog Number:
AG000PON
Chemical Name:
1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, sodium salt (1:1)
CAS Number:
1198-77-2
Molecular Formula:
C5H4N4NaO3
Molecular Weight:
191.1000
MDL Number:
MFCD00067310
IUPAC Name:
sodium;7,9-dihydropurin-3-ide-2,6,8-trione
InChI:
InChI=1S/C5H4N4O3.Na/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;/h(H4,6,7,8,9,10,11,12);/q;+1/p-1
InChI Key:
NAFSTSRULRIERK-UHFFFAOYSA-M
SMILES:
O=c1[nH]c2c([nH]1)[nH]c(=O)[nH]c2=O.[Na]
EC Number:
214-838-1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
190.094g/mol
Monoisotopic Mass:
190.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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