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66645-85-0 | 1-Propanone, 1,1'-(4,5-pyridazinediyl)bis[2-methyl-
CAS No: 66645-85-0 Catalog No: AG00H7NI MDL No:
Product Description
Catalog Number:
AG00H7NI
Chemical Name:
1-Propanone, 1,1'-(4,5-pyridazinediyl)bis[2-methyl-
CAS Number:
66645-85-0
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
2-methyl-1-[5-(2-methylpropanoyl)pyridazin-4-yl]propan-1-one
InChI:
InChI=1S/C12H16N2O2/c1-7(2)11(15)9-5-13-14-6-10(9)12(16)8(3)4/h5-8H,1-4H3
InChI Key:
UKDWQOPSOYVVRN-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1cnncc1C(=O)C(C)C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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