[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonate


Chemical Name: [(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonate
CAS Number: 321695-57-2
Product Number: AG00CNHE(AGN-PC-0KDL8Z)
Synonyms:
MDL No:
Molecular Formula: C15H15NO5S
Molecular Weight: 321.3483

Identification/Properties


Computed Properties
Molecular Weight:
321.347g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
321.067g/mol
Monoisotopic Mass:
321.067g/mol
Topological Polar Surface Area:
90.4A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
607
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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