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178472-31-6 | 4H-Isoxazolo[4,5-e][1,2,4]oxadiazolo[4,5-a]pyrazine (9CI)
CAS No: 178472-31-6 Catalog No: AG00262Y MDL No:
Product Description
Catalog Number:
AG00262Y
Chemical Name:
4H-Isoxazolo[4,5-e][1,2,4]oxadiazolo[4,5-a]pyrazine (9CI)
CAS Number:
178472-31-6
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
IUPAC Name:
3,10-dioxa-1,4,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,8,11-tetraene
InChI:
InChI=1S/C6H4N4O2/c1-4-6(12-8-1)10-3-9-11-5(10)2-7-4/h1-3,7H
InChI Key:
IAGJODKVXINNKQ-UHFFFAOYSA-N
SMILES:
n1cc2c(o1)n1cnoc1c[nH]2
Properties
Complexity:
264
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:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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