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25505-98-0 | 4-Phenyl-6-methylisoxazolo[3,4-d]pyridazine-7(6H)-one
CAS No: 25505-98-0 Catalog No: AG00CDAN MDL No:
Product Description
Catalog Number:
AG00CDAN
Chemical Name:
4-Phenyl-6-methylisoxazolo[3,4-d]pyridazine-7(6H)-one
CAS Number:
25505-98-0
IUPAC Name:
6-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C12H9N3O2/c1-15-12(16)11-9(7-17-14-11)10(13-15)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
XTNGCLPUGZJGOH-UHFFFAOYSA-N
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.223g/mol
Monoisotopic Mass:
227.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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