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19729-83-0 | 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxypropoxy)-1,3-dimethyl-
CAS No: 19729-83-0 Catalog No: AG002APE MDL No:
Product Description
Catalog Number:
AG002APE
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxypropoxy)-1,3-dimethyl-
CAS Number:
19729-83-0
Molecular Formula:
C10H14N4O4
Molecular Weight:
254.2426
IUPAC Name:
7-(2-hydroxypropoxy)-1,3-dimethylpurine-2,6-dione
InChI:
InChI=1S/C10H14N4O4/c1-6(15)4-18-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3
InChI Key:
FQDAAPOUQOEUCR-UHFFFAOYSA-N
SMILES:
CC(COn1cnc2c1c(=O)n(C)c(=O)n2C)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.246g/mol
Monoisotopic Mass:
254.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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