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149918-22-9

149918-22-9 | 1H-Purine-2,6-dione, 3,7-dihydro-3,7,8-trimethyl-1-(2-oxopropyl)-

CAS No: 149918-22-9 Catalog No: AG001M4H MDL No:

Product Description

Catalog Number:
AG001M4H
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-3,7,8-trimethyl-1-(2-oxopropyl)-
CAS Number:
149918-22-9
Molecular Formula:
C11H14N4O3
Molecular Weight:
250.2539
IUPAC Name:
3,7,8-trimethyl-1-(2-oxopropyl)purine-2,6-dione
InChI:
InChI=1S/C11H14N4O3/c1-6(16)5-15-10(17)8-9(14(4)11(15)18)12-7(2)13(8)3/h5H2,1-4H3
InChI Key:
KQKSYSYHXCZZTL-UHFFFAOYSA-N
SMILES:
CC(=O)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)C

Properties

Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.107g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.258g/mol
Monoisotopic Mass:
250.107g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

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