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144084-41-3 | 9H-Purine-9-acetonitrile, 2-amino-6-(phenylmethoxy)-
CAS No: 144084-41-3 Catalog No: AG001IVK MDL No:
Product Description
Catalog Number:
AG001IVK
Chemical Name:
9H-Purine-9-acetonitrile, 2-amino-6-(phenylmethoxy)-
CAS Number:
144084-41-3
Molecular Formula:
C14H12N6O
Molecular Weight:
280.2847
IUPAC Name:
2-(2-amino-6-phenylmethoxypurin-9-yl)acetonitrile
InChI:
InChI=1S/C14H12N6O/c15-6-7-20-9-17-11-12(20)18-14(16)19-13(11)21-8-10-4-2-1-3-5-10/h1-5,9H,7-8H2,(H2,16,18,19)
InChI Key:
UJMYASCLIHSBJU-UHFFFAOYSA-N
SMILES:
N#CCn1cnc2c1nc(N)nc2OCc1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.291g/mol
Monoisotopic Mass:
280.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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