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173270-07-0

173270-07-0 | 5H-Isoxazolo[4,5-d]-1,2,4-oxadiazolo[4,5-b]pyridazine (9CI)

CAS No: 173270-07-0 Catalog No: AG001YQC MDL No:

Product Description

Catalog Number:
AG001YQC
Chemical Name:
5H-Isoxazolo[4,5-d]-1,2,4-oxadiazolo[4,5-b]pyridazine (9CI)
CAS Number:
173270-07-0
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
IUPAC Name:
3,10-dioxa-4,6,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,8,11-tetraene
InChI:
InChI=1S/C6H4N4O2/c1-4-5(11-8-1)2-7-10-3-9-12-6(4)10/h1-3,7H
InChI Key:
QXMKMSCIASUNOU-UHFFFAOYSA-N
SMILES:
n1oc2c(c1)c1oncn1[nH]c2

Properties

Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.033g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.124g/mol
Monoisotopic Mass:
164.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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