1H-Indole-1-acetic acid, 3-formyl-, ethyl ester


Chemical Name: 1H-Indole-1-acetic acid, 3-formyl-, ethyl ester
CAS Number: 27065-94-7
Product Number: AG007LXC(AGN-PC-0JW9N1)
Synonyms:
MDL No:
Molecular Formula: C13H13NO3
Molecular Weight: 231.2472

Identification/Properties


Computed Properties
Molecular Weight:
231.251g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
231.09g/mol
Monoisotopic Mass:
231.09g/mol
Topological Polar Surface Area:
48.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
292
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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