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Home > Pyridines > 825634-04-6
825634-04-6 | 3(2H)-Pyridazinone, 5-acetyl-2-(phenylmethyl)-
CAS No: 825634-04-6 Catalog No: AG004Y5H MDL No:
Product Description
Catalog Number:
AG004Y5H
Chemical Name:
3(2H)-Pyridazinone, 5-acetyl-2-(phenylmethyl)-
CAS Number:
825634-04-6
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
5-acetyl-2-benzylpyridazin-3-one
InChI:
InChI=1S/C13H12N2O2/c1-10(16)12-7-13(17)15(14-8-12)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChI Key:
YRDRKJMUVJDVTF-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnn(c(=O)c1)Cc1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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