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1010-59-9 | 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-, sodium salt (1:1)
CAS No: 1010-59-9 Catalog No: AG0003GC MDL No:
Product Description
Catalog Number:
AG0003GC
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-, sodium salt (1:1)
CAS Number:
1010-59-9
Molecular Formula:
C7H8N4NaO2
Molecular Weight:
203.1538
IUPAC Name:
sodium;3,7-dimethylpurin-1-ide-2,6-dione
InChI:
InChI=1S/C7H8N4O2.Na/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;/h3H,1-2H3,(H,9,12,13);/q;+1/p-1
InChI Key:
OZHPKSFNBCNLER-UHFFFAOYSA-M
SMILES:
Cn1cnc2c1c(=O)[nH]c(=O)n2C.[Na]
EC Number:
213-775-7
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.149g/mol
Monoisotopic Mass:
202.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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