CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1664 |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H304:Aspiration hazard |
| Precautionary Statement Codes |
P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 222.41 g/mol |
|---|---|
| XLogP3 | 7.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 12 |
| Exact Mass | 222.234750957 g/mol |
| Monoisotopic Mass | 222.234750957 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 160 |
| 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
1-Hexadecyne is a natural product found in Houttuynia cordata and Hamamelis virginiana with data available.