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58035-53-3 | Isoxazolo[5,4-b]pyridine-3-acetonitrile (9CI)
CAS No: 58035-53-3 Catalog No: AG00EJJL MDL No:
Product Description
Catalog Number:
AG00EJJL
Chemical Name:
Isoxazolo[5,4-b]pyridine-3-acetonitrile (9CI)
CAS Number:
58035-53-3
IUPAC Name:
2-([1,2]oxazolo[5,4-b]pyridin-3-yl)acetonitrile
InChI:
InChI=1S/C8H5N3O/c9-4-3-7-6-2-1-5-10-8(6)12-11-7/h1-2,5H,3H2
InChI Key:
OJQNMAQTNPGWGG-UHFFFAOYSA-N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.148g/mol
Monoisotopic Mass:
159.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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