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


Chemical Name: 2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-,2-(1,1-dimethylethyl) ester, (3S)-
CAS Number: 66863-43-2
Product Number: AG003OH5(AGN-PC-0TMET8)
Synonyms:
MDL No:
Molecular Formula: C17H20N2O4
Molecular Weight: 316.3517

Identification/Properties


Properties
MP:
286-291 °C
Storage:
2-8℃;
Form:
Solid
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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