2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-,2-(1,1-dimethylethyl) ester, (3R)-


Chemical Name: 2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-,2-(1,1-dimethylethyl) ester, (3R)-
CAS Number: 123910-26-9
Product Number: AG000L7W(AGN-PC-0PHOHE)
Synonyms:
MDL No:
Molecular Formula: C17H19N2O4-
Molecular Weight: 315.3438

Identification/Properties


Computed Properties
Molecular Weight:
316.357g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
316.142g/mol
Monoisotopic Mass:
316.142g/mol
Topological Polar Surface Area:
82.6A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
488
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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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