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113688-15-6 | 2H-Azeto[1,2-f]pteridine (9CI)
CAS No: 113688-15-6 Catalog No: AG0009BM MDL No:
Product Description
Catalog Number:
AG0009BM
Chemical Name:
2H-Azeto[1,2-f]pteridine (9CI)
CAS Number:
113688-15-6
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
IUPAC Name:
5H-azeto[1,2-f]pteridine
InChI:
InChI=1S/C8H6N4/c1-2-12-6(1)3-10-8-7(12)4-9-5-11-8/h1-5H,(H,9,10,11)
InChI Key:
KLDAHBJUPFRBCZ-UHFFFAOYSA-N
SMILES:
[nH]1cnc2c(c1)n1ccc1cn2
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.164g/mol
Monoisotopic Mass:
158.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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