4H-Quinolizine-3-carboxylic acid, 1-formyl-4-oxo-, ethyl ester


Chemical Name: 4H-Quinolizine-3-carboxylic acid, 1-formyl-4-oxo-, ethyl ester
CAS Number: 337909-10-1
Product Number: AG00D4P1(AGN-PC-02WOZP)
Synonyms:
MDL No:
Molecular Formula: C13H11NO4
Molecular Weight: 245.2307

Identification/Properties


Computed Properties
Molecular Weight:
245.234g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
245.069g/mol
Monoisotopic Mass:
245.069g/mol
Topological Polar Surface Area:
63.7A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
537
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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