49763-96-4
Product Name:
STIRIPENTOL
Formula:
C14H18O3
Synonyms:
4,4-dimethyl-1-[3,4(methylenedioxy)-phenyl]-1-penten-3-ol;Diacomit
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Melting Point | 73-74 |
|---|---|
| LogP | 2.94 |
| Dissociation Constants | 14.2 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 234.29 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 234.125594432 g/mol |
| Monoisotopic Mass | 234.125594432 g/mol |
| Topological Polar Surface Area | 38.7 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 280 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol is a phenylpropanoid.