7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid


Chemical Name: 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid
CAS Number: 1245645-20-8
Product Number: AG000M9M(AGN-PC-0J0XV1)
Synonyms:
MDL No:
Molecular Formula: C14H17N2O4-
Molecular Weight: 277.2958

Identification/Properties


Computed Properties
Molecular Weight:
278.308g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
278.127g/mol
Monoisotopic Mass:
278.127g/mol
Topological Polar Surface Area:
79.7A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
391
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335-H412
Precautionary Statements:
P261-P273-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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