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88092-30-2 | 3,6-Pyridazinedione, 1-[(3,4-dimethylphenyl)methyl]-1,2-dihydro-
CAS No: 88092-30-2 Catalog No: AG004EJO MDL No:
Product Description
Catalog Number:
AG004EJO
Chemical Name:
3,6-Pyridazinedione, 1-[(3,4-dimethylphenyl)methyl]-1,2-dihydro-
CAS Number:
88092-30-2
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
2-[(3,4-dimethylphenyl)methyl]-1H-pyridazine-3,6-dione
InChI:
InChI=1S/C13H14N2O2/c1-9-3-4-11(7-10(9)2)8-15-13(17)6-5-12(16)14-15/h3-7H,8H2,1-2H3,(H,14,16)
InChI Key:
ANOZIRSSUGQCPF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)Cn1[nH]c(=O)ccc1=O
Properties
Complexity:
351
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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