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121910-71-2 | Isoxazolo[3,4-d]pyridazin-7(6H)-one, 3-ethyl-6-methyl-4-phenyl-
CAS No: 121910-71-2 Catalog No: AG0016DP MDL No:
Product Description
Catalog Number:
AG0016DP
Chemical Name:
Isoxazolo[3,4-d]pyridazin-7(6H)-one, 3-ethyl-6-methyl-4-phenyl-
CAS Number:
121910-71-2
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
IUPAC Name:
3-ethyl-6-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C14H13N3O2/c1-3-10-11-12(9-7-5-4-6-8-9)15-17(2)14(18)13(11)16-19-10/h4-8H,3H2,1-2H3
InChI Key:
YTLUDUUBOCRJCB-UHFFFAOYSA-N
SMILES:
CCc1onc2c1c(nn(c2=O)C)c1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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