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839725-78-9 | Isoxazolo[4',5':4,5]furo[2,3-b]pyridine(9CI)
CAS No: 839725-78-9 Catalog No: AG004UAJ MDL No:
Product Description
Catalog Number:
AG004UAJ
Chemical Name:
Isoxazolo[4',5':4,5]furo[2,3-b]pyridine(9CI)
CAS Number:
839725-78-9
Molecular Formula:
C8H4N2O2
Molecular Weight:
160.1296
IUPAC Name:
5,7-dioxa-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene
InChI:
InChI=1S/C8H4N2O2/c1-2-5-6-4-10-12-8(6)11-7(5)9-3-1/h1-4H
InChI Key:
QPYQLFFKRVFLPW-UHFFFAOYSA-N
SMILES:
c1cnc2c(c1)c1cnoc1o2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.132g/mol
Monoisotopic Mass:
160.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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