1H-Indole-2-carboxylic acid, octahydro-


Chemical Name: 1H-Indole-2-carboxylic acid, octahydro-
CAS Number: 82717-40-6
Product Number: AG00GDPG(AGN-PC-00KQNN)
Synonyms:
MDL No:
Molecular Formula: C9H15NO2
Molecular Weight: 169.2209

Identification/Properties


Computed Properties
Molecular Weight:
169.224g/mol
XLogP3:
-1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
169.11g/mol
Monoisotopic Mass:
169.11g/mol
Topological Polar Surface Area:
49.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
193
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
3
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:
H315-H319
Precautionary Statements:
P264-P280-P302+P352-P337+P313-P362+P364-P332+P313
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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