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173894-73-0 | Isoxazolo[4,3-b]pyridine
CAS No: 173894-73-0 Catalog No: AG001Z8S MDL No:
Product Description
Catalog Number:
AG001Z8S
Chemical Name:
Isoxazolo[4,3-b]pyridine
CAS Number:
173894-73-0
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
IUPAC Name:
[1,2]oxazolo[4,3-b]pyridine
InChI:
InChI=1S/C6H4N2O/c1-2-5-6(7-3-1)4-9-8-5/h1-4H
InChI Key:
NABZXASCLFSKLF-UHFFFAOYSA-N
SMILES:
c1cnc2c(c1)noc2
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.111g/mol
Monoisotopic Mass:
120.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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