1H-1-Benzazepine-4-carboxylic acid, 2,3-dihydro-5-hydroxy-2-oxo-,ethyl ester


Chemical Name: 1H-1-Benzazepine-4-carboxylic acid, 2,3-dihydro-5-hydroxy-2-oxo-,ethyl ester
CAS Number: 108993-98-2
Product Number: AG008WJJ(AGN-PC-0OZ2IN)
Synonyms:
MDL No:
Molecular Formula: C13H13NO4
Molecular Weight: 247.24662

Identification/Properties


Computed Properties
Molecular Weight:
247.25g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
247.084g/mol
Monoisotopic Mass:
247.084g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
389
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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