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83297-24-9 | 2-tert-butyl-5-methyl-2,3-dihydropyridazin-3-one
CAS No: 83297-24-9 Catalog No: AG01BOAH MDL No:MFCD30498887
Product Description
Catalog Number:
AG01BOAH
Chemical Name:
2-tert-butyl-5-methyl-2,3-dihydropyridazin-3-one
CAS Number:
83297-24-9
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
MDL Number:
MFCD30498887
IUPAC Name:
2-tert-butyl-5-methylpyridazin-3-one
InChI:
InChI=1S/C9H14N2O/c1-7-5-8(12)11(10-6-7)9(2,3)4/h5-6H,1-4H3
InChI Key:
WPDMUPNEAUSGIO-UHFFFAOYSA-N
SMILES:
Cc1cnn(c(=O)c1)C(C)(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.224g/mol
Monoisotopic Mass:
166.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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