2-Propenoic acid, 3-(1H-indol-3-yl)-


Chemical Name: 2-Propenoic acid, 3-(1H-indol-3-yl)-
CAS Number: 1204-06-4
Product Number: AG0033QC(AGN-PC-0JKBT3)
Synonyms:
MDL No:
Molecular Formula: C11H9NO2
Molecular Weight: 187.1947

Identification/Properties


Properties
MP:
178-184 °C
BP:
432.813 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.4900 (estimate)
Computed Properties
Molecular Weight:
187.198g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
187.063g/mol
Monoisotopic Mass:
187.063g/mol
Topological Polar Surface Area:
53.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
250
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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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