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55901-96-7 | 6-(4-ethylphenyl)pyridazin-3-ol
CAS No: 55901-96-7 Catalog No: AG01FM67 MDL No:MFCD02676711
Product Description
Catalog Number:
AG01FM67
Chemical Name:
6-(4-ethylphenyl)pyridazin-3-ol
CAS Number:
55901-96-7
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD02676711
IUPAC Name:
3-(4-ethylphenyl)-1H-pyridazin-6-one
InChI:
InChI=1S/C12H12N2O/c1-2-9-3-5-10(6-4-9)11-7-8-12(15)14-13-11/h3-8H,2H2,1H3,(H,14,15)
InChI Key:
WRMGYZYIXOIATK-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1ccc(nn1)O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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