CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pale yellow liquid; Penetrating raddish-like aroma |
|---|---|
| Solubility | very slightly |
| Density | 1.080-1.086 (20°) |
| Refractive Index | 1.551-1.556 |
| Kovats Retention Index | 1415 1409 1403 1383 |
COMPUTED DESCRIPTORS
| Molecular Weight | 161.3 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 161.03329170 g/mol |
| Monoisotopic Mass | 161.03329170 g/mol |
| Topological Polar Surface Area | 69.8 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 97.2 |
| 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
Erucin is an isothiocyanate.