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7464-93-9 | 1H-Purine-2,6,8(3H)-trione,7,9-dihydro-1,3,9-trimethyl-
CAS No: 7464-93-9 Catalog No: AG005J1U MDL No:
Product Description
Catalog Number:
AG005J1U
Chemical Name:
1H-Purine-2,6,8(3H)-trione,7,9-dihydro-1,3,9-trimethyl-
CAS Number:
7464-93-9
Molecular Formula:
C8H10N4O3
Molecular Weight:
210.1900
IUPAC Name:
1,3,9-trimethyl-7H-purine-2,6,8-trione
InChI:
InChI=1S/C8H10N4O3/c1-10-5-4(9-7(10)14)6(13)12(3)8(15)11(5)2/h1-3H3,(H,9,14)
InChI Key:
CWENCZHQIWXCCA-UHFFFAOYSA-N
SMILES:
Cn1c(=O)c2[nH]c(=O)n(c2n(c1=O)C)C
EC Number:
231-258-4
NSC Number:
400135
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.193g/mol
Monoisotopic Mass:
210.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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