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178472-32-7 | 4H-Isoxazolo[4,5-e][1,2,4]oxadiazolo[4,5-a]pyrimidine (9CI)
CAS No: 178472-32-7 Catalog No: AG00262X MDL No:
Product Description
Catalog Number:
AG00262X
Chemical Name:
4H-Isoxazolo[4,5-e][1,2,4]oxadiazolo[4,5-a]pyrimidine (9CI)
CAS Number:
178472-32-7
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
IUPAC Name:
3,10-dioxa-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,8,11-tetraene
InChI:
InChI=1S/C6H4N4O2/c1-4-2-8-11-5(4)10-3-9-12-6(10)7-1/h2-3H,1H2
InChI Key:
BWNLXGIHHQVZDI-UHFFFAOYSA-N
SMILES:
n1cc2c(o1)n1cnoc1=NC2
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:
0
Isotope Atom Count:
0
Molecular Weight:
164.124g/mol
Monoisotopic Mass:
164.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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