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173417-39-5 | Isoxazolo[4,3-b]pyridine-3-carbonitrile
CAS No: 173417-39-5 Catalog No: AG001YVW MDL No:
Product Description
Catalog Number:
AG001YVW
Chemical Name:
Isoxazolo[4,3-b]pyridine-3-carbonitrile
CAS Number:
173417-39-5
Molecular Formula:
C7H3N3O
Molecular Weight:
145.1182
IUPAC Name:
[1,2]oxazolo[4,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C7H3N3O/c8-4-6-7-5(10-11-6)2-1-3-9-7/h1-3H
InChI Key:
GSHLXCDRMNQATK-UHFFFAOYSA-N
SMILES:
N#Cc1onc2c1nccc2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.028g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.121g/mol
Monoisotopic Mass:
145.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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