3-[(8Z,11Z)-Pentadeca-8,11-dien-1-YL]benzene-1,2-diol

Base Information

• Chemical Name: 3-[(8Z,11Z)-Pentadeca-8,11-dien-1-YL]benzene-1,2-diol
• CAS No.: 83258-37-1
• Molecular Formula: C₂₁H₃₂O₂
• Molecular Weight: 316.484
• European Community (EC) Number: 683-226-8
• UNII: 0QRN9SQP2M
• DSSTox Substance ID: DTXSID501229816
• Metabolomics Workbench ID: 75850
• Nikkaji Number: J1.862.323D
• Wikidata: Q27456373

Synonyms:83258-37-1;UNII-0QRN9SQP2M;Urushiol (15:2;8Z,10Z);0QRN9SQP2M;3-[(8Z,11Z)-PENTADECA-8,11-DIEN-1-YL]BENZENE-1,2-DIOL;1,2-Benzenediol, 3-(8Z,11Z)-8,11-pentadecadien-1-yl-;3-[(8Z,11Z)-pentadeca-8,11-dienyl]benzene-1,2-diol;3-((8Z,11Z)-pentadeca-8,11-dien-1-yl)catechol;3-((8Z,11Z)-pentadeca-8,11-dien-1-yl)benzene-1,2-diol;Urushiol (15:2);urushiol (C15:2);(8Z,11Z)-urushiol III;SCHEMBL19880531;CHEBI:140612;DTXSID501229816;LMPK15020003;AKOS040734848;Q27456373;3-(8Z,11Z)-8,11-Pentadecadien-1-yl-1,2-benzenediol

Chemical Property of 3-[(8Z,11Z)-Pentadeca-8,11-dien-1-YL]benzene-1,2-diol

Chemical Property:

• XLogP3: 7.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 316.240230259
• Heavy Atom Count: 23
• Complexity: 322

Purity/Quality:

99%+, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)O
• Isomeric SMILES: CCC/C=C\C/C=C\CCCCCCCC1=C(C(=CC=C1)O)O

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