6,7-dimethoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid


Chemical Name: 6,7-dimethoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CAS Number: 738629-59-9
Product Number: AG005J9O(AGN-PC-01A9A5)
Synonyms:
MDL No:
Molecular Formula: C17H23NO6
Molecular Weight: 337.3676

Identification/Properties


Computed Properties
Molecular Weight:
337.372g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
337.153g/mol
Monoisotopic Mass:
337.153g/mol
Topological Polar Surface Area:
85.3A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
474
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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