778-82-5
Product Name:
Ethyl 3-indoleacetate
Formula:
C12H13NO2
Synonyms:
3-[(Ethoxycarbonyl)methyl]indole;AA ethyl ester;Ethyl β-indolylacetate;Ethyl 2-(indol-3-yl)acetate;Ethyl indol-3-ylacetate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 145.2 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
|---|---|
| Kovats Retention Index | 1903 |
COMPUTED DESCRIPTORS
| Molecular Weight | 203.24 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 203.094628657 g/mol |
| Monoisotopic Mass | 203.094628657 g/mol |
| Topological Polar Surface Area | 42.1 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 230 |
| 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 |
PRODUCT INTRODUCTION
description
Ethyl 3-indoleacetate is a member of indole-3-acetic acids.