Dichlorodehydroabietic acid

Base Information

• Chemical Name: Dichlorodehydroabietic acid
• CAS No.: 57055-39-7
• Molecular Formula: C20H26Cl2O2
• Molecular Weight: 369.33
• DSSTox Substance ID: DTXSID50858811

Synonyms:Dichlorodehydroabietic acid;57055-39-7;methyl (1R,4aS,10aR)-1,2-dichloro-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate;DTXSID50858811;1-Phenanthrenecarboxylic acid, dichloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,4abeta,10aalpha))-;1-Phenanthrenecarboxylic acid, dichloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1theta-(1alpha,4abeta,10aalpha))-

Chemical Property of Dichlorodehydroabietic acid

Chemical Property:

• Vapor Pressure: 5.88E-08mmHg at 25°C
• Boiling Point: 440.5°C at 760 mmHg
• Flash Point: 147.6°C
• PSA: 26.30000
• Density: 1.19g/cm³
• LogP: 5.18190
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 368.1309855
• Heavy Atom Count: 24
• Complexity: 494

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC2=C(C=C1)C3(CCC(C(C3CC2)(C(=O)OC)Cl)Cl)C
• Isomeric SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CCC([C@@]([C@@H]3CC2)(C(=O)OC)Cl)Cl)C

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