1H-Indole-5-carboxylic acid, 2,3-dimethyl-, ethyl ester


Chemical Name: 1H-Indole-5-carboxylic acid, 2,3-dimethyl-, ethyl ester
CAS Number: 21523-62-6
Product Number: AG00C3P8(AGN-PC-0JTSE0)
Synonyms:
MDL No: MFCD00458330
Molecular Formula: C13H15NO2
Molecular Weight: 217.2637

Identification/Properties


Computed Properties
Molecular Weight:
217.268g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
217.11g/mol
Monoisotopic Mass:
217.11g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
267
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#:
-
Hazard Statements:
H315-H335-H319
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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