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88372-17-2 | 3(2H)-Pyridazinone, 6-(1-ethylcyclohexyl)-
CAS No: 88372-17-2 Catalog No: AG004MAP MDL No:
Product Description
Catalog Number:
AG004MAP
Chemical Name:
3(2H)-Pyridazinone, 6-(1-ethylcyclohexyl)-
CAS Number:
88372-17-2
Molecular Formula:
C12H18N2O
Molecular Weight:
206.2841
IUPAC Name:
3-(1-ethylcyclohexyl)-1H-pyridazin-6-one
InChI:
InChI=1S/C12H18N2O/c1-2-12(8-4-3-5-9-12)10-6-7-11(15)14-13-10/h6-7H,2-5,8-9H2,1H3,(H,14,15)
InChI Key:
IBZAJWQJFXAFFS-UHFFFAOYSA-N
SMILES:
CCC1(CCCCC1)c1ccc(=O)[nH]n1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.289g/mol
Monoisotopic Mass:
206.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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