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Home > Other Building Blocks > 163622-47-7
163622-47-7 | 6H-Purin-6-one, 8-azido-1,9-dihydro-
CAS No: 163622-47-7 Catalog No: AG001U9W MDL No:
Product Description
Catalog Number:
AG001U9W
Chemical Name:
6H-Purin-6-one, 8-azido-1,9-dihydro-
CAS Number:
163622-47-7
Molecular Formula:
C5H3N7O
Molecular Weight:
177.1236
IUPAC Name:
8-azido-1,7-dihydropurin-6-one
InChI:
InChI=1S/C5H3N7O/c6-12-11-5-9-2-3(10-5)7-1-8-4(2)13/h1H,(H2,7,8,9,10,13)
InChI Key:
LGIBWIWTJYFVKU-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1[nH]c2c(n1)c(=O)[nH]cn2
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.127g/mol
Monoisotopic Mass:
177.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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