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 |
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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.