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25506-00-7 | 4-Phenyl-3,6-dimethylisoxazolo[3,4-d]pyridazine-7(6H)-one
CAS No: 25506-00-7 Catalog No: AG00CDAO MDL No:
Product Description
Catalog Number:
AG00CDAO
Chemical Name:
4-Phenyl-3,6-dimethylisoxazolo[3,4-d]pyridazine-7(6H)-one
CAS Number:
25506-00-7
IUPAC Name:
3,6-dimethyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C13H11N3O2/c1-8-10-11(9-6-4-3-5-7-9)14-16(2)13(17)12(10)15-18-8/h3-7H,1-2H3
InChI Key:
XJXJGEAQOLTDAY-UHFFFAOYSA-N
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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