1H-Indole-3-propanoic acid


Chemical Name: 1H-Indole-3-propanoic acid
CAS Number: 830-96-6
Product Number: AG0033QE(AGN-PC-0JK6NA)
Synonyms:
MDL No:
Molecular Formula: C11H11NO2
Molecular Weight: 189.2105

Identification/Properties


Properties
MP:
134-135 °C(lit.)
BP:
417.6°C at 760 mmHg
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Refractive Index:
n20/D 1.377(lit.)
Solubility:
ethanol: soluble50mg/mL, clear, yellow to orange
Computed Properties
Molecular Weight:
189.214g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
189.079g/mol
Monoisotopic Mass:
189.079g/mol
Topological Polar Surface Area:
53.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
217
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:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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