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106609-04-5 | Isoxazolo[4,5-d]pyridazine-4,7-dione, 5,6-dihydro-3-methyl-
CAS No: 106609-04-5 Catalog No: AG007CA8 MDL No:
Product Description
Catalog Number:
AG007CA8
Chemical Name:
Isoxazolo[4,5-d]pyridazine-4,7-dione, 5,6-dihydro-3-methyl-
CAS Number:
106609-04-5
Molecular Formula:
C6H5N3O3
Molecular Weight:
167.1222
IUPAC Name:
3-methyl-5,6-dihydro-[1,2]oxazolo[4,5-d]pyridazine-4,7-dione
InChI:
InChI=1S/C6H5N3O3/c1-2-3-4(12-9-2)6(11)8-7-5(3)10/h1H3,(H,7,10)(H,8,11)
InChI Key:
OAOWGRURGWSDNP-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c(=O)c2c1onc2C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.124g/mol
Monoisotopic Mass:
167.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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