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4826-92-0 | 6-(2,4-dimethylphenyl)pyridazin-3(2H)-one
CAS No: 4826-92-0 Catalog No: AG018FSE MDL No:MFCD03090503
Product Description
Catalog Number:
AG018FSE
Chemical Name:
6-(2,4-dimethylphenyl)pyridazin-3(2H)-one
CAS Number:
4826-92-0
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD03090503
IUPAC Name:
3-(2,4-dimethylphenyl)-1H-pyridazin-6-one
InChI:
InChI=1S/C12H12N2O/c1-8-3-4-10(9(2)7-8)11-5-6-12(15)14-13-11/h3-7H,1-2H3,(H,14,15)
InChI Key:
LNQLKXHPBPZDMH-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)c1ccc(=O)[nH]n1
Properties
Complexity:
320
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:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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