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139953-70-1 | 1(6H)-Pyridazinepropanoic acid, 6-oxo-3,5-diphenyl-
CAS No: 139953-70-1 Catalog No: AG001BUO MDL No:
Product Description
Catalog Number:
AG001BUO
Chemical Name:
1(6H)-Pyridazinepropanoic acid, 6-oxo-3,5-diphenyl-
CAS Number:
139953-70-1
Molecular Formula:
C19H16N2O3
Molecular Weight:
320.3419
IUPAC Name:
3-(6-oxo-3,5-diphenylpyridazin-1-yl)propanoic acid
InChI:
InChI=1S/C19H16N2O3/c22-18(23)11-12-21-19(24)16(14-7-3-1-4-8-14)13-17(20-21)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,22,23)
InChI Key:
UKFDAFKRWIEKED-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1nc(cc(c1=O)c1ccccc1)c1ccccc1
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.348g/mol
Monoisotopic Mass:
320.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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