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1740-19-8

1740-19-8 structural image
Product Name: Dehydroabietic acid
Formula: C20H28O2
Synonyms: Abieta-8,11,13-trien-18-oic acid;Dehydroabietate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Dry Powder; Other Solid
Chemical Classes other linear non-peptide (Diterpenoid)

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Environment
GHS09
GHS Hazard Statements H301:Acute toxicity,oral
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 300.4 g/mol
XLogP3 5.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 300.208930132 g/mol
Monoisotopic Mass 300.208930132 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 443
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
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

Dehydroabietic acid is an abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group. It has a role as a metabolite and an allergen. It is an abietane diterpenoid, a monocarboxylic acid and a carbotricyclic compound. It is functionally related to an abietic acid. It is a conjugate acid of a dehydroabietate.