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16347-32-3 | 9H-Purine, 9-(tetrahydro-2H-pyran-2-yl)-
CAS No: 16347-32-3 Catalog No: AG001U5A MDL No:
Product Description
Catalog Number:
AG001U5A
Chemical Name:
9H-Purine, 9-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
16347-32-3
Molecular Formula:
C10H12N4O
Molecular Weight:
204.2285
IUPAC Name:
9-(oxan-2-yl)purine
InChI:
InChI=1S/C10H12N4O/c1-2-4-15-9(3-1)14-7-13-8-5-11-6-12-10(8)14/h5-7,9H,1-4H2
InChI Key:
LJXYKPCGNZYRFJ-UHFFFAOYSA-N
SMILES:
C1CCC(OC1)n1cnc2c1ncnc2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.233g/mol
Monoisotopic Mass:
204.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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