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6411-50-3

6411-50-3 structural image
Product Name: 5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)methyl]-2-hydroxy-3-methylbenzoic acid
Formula: C27H22N2O7
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COMPUTED DESCRIPTORS

Molecular Weight 486.5 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 486.14270105 g/mol
Monoisotopic Mass 486.14270105 g/mol
Topological Polar Surface Area 145 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 1110
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes