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100234-52-4 | 7H-Purine-7-propanenitrile, 2-amino-1,6-dihydro-6-oxo-
CAS No: 100234-52-4 Catalog No: AG0001BR MDL No:
Product Description
Catalog Number:
AG0001BR
Chemical Name:
7H-Purine-7-propanenitrile, 2-amino-1,6-dihydro-6-oxo-
CAS Number:
100234-52-4
Molecular Formula:
C8H8N6O
Molecular Weight:
204.1887
IUPAC Name:
3-(2-amino-6-oxo-1H-purin-7-yl)propanenitrile
InChI:
InChI=1S/C8H8N6O/c9-2-1-3-14-4-11-6-5(14)7(15)13-8(10)12-6/h4H,1,3H2,(H3,10,12,13,15)
InChI Key:
OQYRRCAUSYFSCL-UHFFFAOYSA-N
SMILES:
N#CCCn1cnc2c1c(=O)[nH]c(n2)N
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.193g/mol
Monoisotopic Mass:
204.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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