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107116-57-4 | Diisoxazolo[3,4-b:4',5'-e]pyrazine(9CI)
CAS No: 107116-57-4 Catalog No: AG0082LI MDL No:
Product Description
Catalog Number:
AG0082LI
Chemical Name:
Diisoxazolo[3,4-b:4',5'-e]pyrazine(9CI)
CAS Number:
107116-57-4
Molecular Formula:
C6H2N4O2
Molecular Weight:
162.1057
IUPAC Name:
4,11-dioxa-2,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,5,7,9-pentaene
InChI:
InChI=1S/C6H2N4O2/c1-3-6(12-7-1)9-5-4(8-3)2-11-10-5/h1-2H
InChI Key:
SWUVCAXVUOTRPK-UHFFFAOYSA-N
SMILES:
o1nc2c(c1)nc1c(n2)onc1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.108g/mol
Monoisotopic Mass:
162.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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