(6Z)-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-hydroxycyclohexa-2,4-dien-1-one


Chemical Name: (6Z)-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-hydroxycyclohexa-2,4-dien-1-one
CAS Number: 171009-07-7
Product Number: AG00784U(AGN-PC-0LQ2NG)
Synonyms:
MDL No:
Molecular Formula: C20H20N2O4
Molecular Weight: 352.3838

Identification/Properties


Computed Properties
Molecular Weight:
352.39g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
352.142g/mol
Monoisotopic Mass:
352.142g/mol
Topological Polar Surface Area:
87.6A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
479
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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