Elliotinoic acid

Base Information

• Chemical Name: Elliotinoic acid
• CAS No.: 1231-35-2
• Molecular Formula: C₂₀H₃₀O₂
• Molecular Weight: 302.457
• UNII: S2JN27TD7M
• Nikkaji Number: J14.034A
• Wikidata: Q105347967
• Mol file: 1231-35-2.mol

Synonyms:Elliotinoic acid;Elliotinoic acid-;Communic acid, (Z)-;S2JN27TD7M;Communic acid, (+)-(Z)-;cis-Communic acid;Labda-8(20),12,14-trien-19-oic acid, (Z)-;(1S,4aR,5S,8aR)-Decahydro-1,4a-dimethyl-6-methylene-5-((2Z)-3-methyl-2,4-pentadien-1-yl)-1-naphthalenecarboxylic acid;1-Naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-((2Z)-3-methyl-2,4-pentadien-1-yl)-, (1S,4aR,5S,8aR)-;UNII-S2JN27TD7M

Chemical Property of Elliotinoic acid

Chemical Property:

• Vapor Pressure: 5.17E-08mmHg at 25°C
• Boiling Point: 414°Cat760mmHg
• PKA: 4.66±0.60(Predicted)
• Flash Point: 199.8°C
• Density: 1g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 302.224580195
• Heavy Atom Count: 22
• Complexity: 516

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)C=C
• Isomeric SMILES: C/C(=C/C[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(C)C(=O)O)C)/C=C