17190-29-3
Product Name:
3-HYDROXY-3-PHENYL-PROPIONITRILE
Formula:
C9H9NO
Synonyms:
β-Hydroxy-benzenepropanenitrile
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1431.4 |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 147.17 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 147.068413911 g/mol |
| Monoisotopic Mass | 147.068413911 g/mol |
| Topological Polar Surface Area | 44 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 152 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-hydroxy-3-phenylpropionitrile is a nitrile that is 3-phenylpropionitrile in which one of the methylene hydrogens at position 3 is replaced by a hydroxy group. It is a nitrile, a member of benzyl alcohols and a secondary alcohol. It is functionally related to a 3-phenylpropionitrile.