1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-


Chemical Name: 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-
CAS Number: 6052-68-2
Product Number: AG00EB0N(AGN-PC-0JM2Y4)
Synonyms:
MDL No:
Molecular Formula: C12H12N2O2
Molecular Weight: 216.2359

Identification/Properties


Computed Properties
Molecular Weight:
216.24g/mol
XLogP3:
-1.2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
216.09g/mol
Monoisotopic Mass:
216.09g/mol
Topological Polar Surface Area:
65.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
295
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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