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49763-96-4

49763-96-4 structural image
Product Name: STIRIPENTOL
Formula: C14H18O3
Synonyms: 4,4-dimethyl-1-[3,4(methylenedioxy)-phenyl]-1-penten-3-ol;Diacomit
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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.

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