1H-Indole-2-carboxylic acid, 5-hydroxy-


Chemical Name: 1H-Indole-2-carboxylic acid, 5-hydroxy-
CAS Number: 21598-06-1
Product Number: AG003MS9(AGN-PC-0JLXRM)
Synonyms:
MDL No:
Molecular Formula: C9H7NO3
Molecular Weight: 177.1568

Identification/Properties


Properties
MP:
249 °C (dec.)(lit.)
BP:
511.4°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
1.5200 (estimate)
Solubility:
chloroform/ethanol (1:1): soluble50mg/mL, clear to slightly hazy, yellow to brown
Computed Properties
Molecular Weight:
177.159g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
177.043g/mol
Monoisotopic Mass:
177.043g/mol
Topological Polar Surface Area:
73.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
219
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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