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87539-11-5 | 3(2H)-Pyridazinone, 6-(1-ethyl-1-methylpropyl)-
CAS No: 87539-11-5 Catalog No: AG004H44 MDL No:
Product Description
Catalog Number:
AG004H44
Chemical Name:
3(2H)-Pyridazinone, 6-(1-ethyl-1-methylpropyl)-
CAS Number:
87539-11-5
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
IUPAC Name:
3-(3-methylpentan-3-yl)-1H-pyridazin-6-one
InChI:
InChI=1S/C10H16N2O/c1-4-10(3,5-2)8-6-7-9(13)12-11-8/h6-7H,4-5H2,1-3H3,(H,12,13)
InChI Key:
VJRIHHPKUHHAKD-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(=O)[nH]n1)(CC)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.251g/mol
Monoisotopic Mass:
180.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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