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87426-12-8 | 3(2H)-Pyridazinone, 6-[(3,4-dimethylphenyl)methoxy]-
CAS No: 87426-12-8 Catalog No: AG004G6S MDL No:
Product Description
Catalog Number:
AG004G6S
Chemical Name:
3(2H)-Pyridazinone, 6-[(3,4-dimethylphenyl)methoxy]-
CAS Number:
87426-12-8
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
3-[(3,4-dimethylphenyl)methoxy]-1H-pyridazin-6-one
InChI:
InChI=1S/C13H14N2O2/c1-9-3-4-11(7-10(9)2)8-17-13-6-5-12(16)14-15-13/h3-7H,8H2,1-2H3,(H,14,16)
InChI Key:
DESKTPLIHATSSH-UHFFFAOYSA-N
SMILES:
O=c1ccc(n[nH]1)OCc1ccc(c(c1)C)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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