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100450-02-0 | 7H-Purine-7-carbonitrile
CAS No: 100450-02-0 Catalog No: AG00020U MDL No:
Product Description
Catalog Number:
AG00020U
Chemical Name:
7H-Purine-7-carbonitrile
CAS Number:
100450-02-0
Molecular Formula:
C6H3N5
Molecular Weight:
145.1215
IUPAC Name:
purine-7-carbonitrile
InChI:
InChI=1S/C6H3N5/c7-2-11-4-10-6-5(11)1-8-3-9-6/h1,3-4H
InChI Key:
UVIOHJUJGXOAQU-UHFFFAOYSA-N
SMILES:
N#Cn1cnc2c1cncn2
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.039g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.125g/mol
Monoisotopic Mass:
145.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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