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720718-54-7 | Isoxazolo[3,4-d]pyridazin-7(6H)-one, 3-methyl-4-(2-thienyl)-
CAS No: 720718-54-7 Catalog No: AG005Z3J MDL No:
Product Description
Catalog Number:
AG005Z3J
Chemical Name:
Isoxazolo[3,4-d]pyridazin-7(6H)-one, 3-methyl-4-(2-thienyl)-
CAS Number:
720718-54-7
Molecular Formula:
C10H7N3O2S
Molecular Weight:
233.2465
IUPAC Name:
3-methyl-4-thiophen-2-yl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C10H7N3O2S/c1-5-7-8(6-3-2-4-16-6)11-12-10(14)9(7)13-15-5/h2-4H,1H3,(H,12,14)
InChI Key:
ZEIHOVGINRLQNR-UHFFFAOYSA-N
SMILES:
Cc1onc2c1c(n[nH]c2=O)c1cccs1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.026g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.245g/mol
Monoisotopic Mass:
233.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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