2-(3,7-Dihydroxy-dibenzo[b,f][1,4]oxazepin-11-yl)-benzoic acid


Chemical Name: 2-(3,7-Dihydroxy-dibenzo[b,f][1,4]oxazepin-11-yl)-benzoic acid
CAS Number: 13606-02-5
Product Number: AG01F69N(AGN-PC-0WALDZ)
Synonyms:
MDL No:
Molecular Formula: C20H13NO5
Molecular Weight: 347.3209

Identification/Properties


Computed Properties
Molecular Weight:
347.326g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
347.079g/mol
Monoisotopic Mass:
347.079g/mol
Topological Polar Surface Area:
99.4A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
564
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

Safety Information


NMR Spectrum


Other Analytical Data


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