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15911-16-7 | 3,4-DIMETHYL-6H-ISOXAZOLO[3,4-D]PYRIDAZIN-7-ONE
CAS No: 15911-16-7 Catalog No: AG00AB7O MDL No:MFCD00126308
Product Description
Catalog Number:
AG00AB7O
Chemical Name:
3,4-DIMETHYL-6H-ISOXAZOLO[3,4-D]PYRIDAZIN-7-ONE
CAS Number:
15911-16-7
Molecular Formula:
C7H7N3O2
Molecular Weight:
165.1494
MDL Number:
MFCD00126308
IUPAC Name:
3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C7H7N3O2/c1-3-5-4(2)12-10-6(5)7(11)9-8-3/h1-2H3,(H,9,11)
InChI Key:
DINKYECDKUZHJM-UHFFFAOYSA-N
SMILES:
Cc1onc2c1c(C)n[nH]c2=O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.152g/mol
Monoisotopic Mass:
165.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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