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106990-53-8 | 4H-Isoxazolo[4,5-e][1,2,4]oxadiazolo[4,5-a]pyridine(9CI)
CAS No: 106990-53-8 Catalog No: AG007TJS MDL No:
Product Description
Catalog Number:
AG007TJS
Chemical Name:
4H-Isoxazolo[4,5-e][1,2,4]oxadiazolo[4,5-a]pyridine(9CI)
CAS Number:
106990-53-8
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
IUPAC Name:
3,10-dioxa-1,4,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,8,11-tetraene
InChI:
InChI=1S/C7H5N3O2/c1-2-6-10(4-9-11-6)7-5(1)3-8-12-7/h2-4H,1H2
InChI Key:
VIAMPZCLDPKGQI-UHFFFAOYSA-N
SMILES:
n1cc2c(o1)n1cnoc1=CC2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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