CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Tan powder; [Alfa Aesar MSDS] |
|---|---|
| Melting Point | 197 - 199 °C |
| Vapor Pressure | 0.00043 [mmHg] |
| LogP | 1.68 |
| Kovats Retention Index | 1786.9 |
| Chemical Classes | Nitrogen Compounds -> Indoles |
COMPUTED DESCRIPTORS
| Molecular Weight | 145.16 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 145.052763847 g/mol |
| Monoisotopic Mass | 145.052763847 g/mol |
| Topological Polar Surface Area | 32.9 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 158 |
| 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
Indole-3-carbaldehyde is a heteroarenecarbaldehyde that is indole in which the hydrogen at position 3 has been replaced by a formyl group. It has a role as a plant metabolite, a human xenobiotic metabolite, a bacterial metabolite and a marine metabolite. It is a heteroarenecarbaldehyde, an indole alkaloid and a member of indoles.