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13956-29-1

13956-29-1 structural image
Product Name: CANNABIDIOL
Formula: C21H30O2
Synonyms: CBD
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2392 2383 2365 2385 2383 2366

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H225:Flammable liquids
H301:Acute toxicity,oral
H311:Acute toxicity,dermal
H331:Acute toxicity,inhalation
H370:Specific target organ toxicity, single exposure
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P260:Do not breathe 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 314.5 g/mol
XLogP3 6.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 314.224580195 g/mol
Monoisotopic Mass 314.224580195 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 414
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

Cannabidiol is an cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4. It has a role as a plant metabolite and an antimicrobial agent. It is a member of resorcinols, an olefinic compound and a phytocannabinoid.