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189306-91-0 | Isoxazolo[3,4-d]pyridazin-7(6H)-one, 6-ethyl-3-methyl-4-phenyl-
CAS No: 189306-91-0 Catalog No: AG002I8B MDL No:
Product Description
Catalog Number:
AG002I8B
Chemical Name:
Isoxazolo[3,4-d]pyridazin-7(6H)-one, 6-ethyl-3-methyl-4-phenyl-
CAS Number:
189306-91-0
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
IUPAC Name:
6-ethyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C14H13N3O2/c1-3-17-14(18)13-11(9(2)19-16-13)12(15-17)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChI Key:
ZRBZYDHSBWCOQZ-UHFFFAOYSA-N
SMILES:
CCn1nc(c2ccccc2)c2c(c1=O)noc2C
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:
2.4
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