5-Etienic acid

Base Information

• Chemical Name: 5-Etienic acid
• CAS No.: 438-10-8
• Molecular Formula: C20H30 O2
• Molecular Weight: 302.45
• DSSTox Substance ID: DTXSID10963117
• Wikidata: Q82944927
• Mol file: 438-10-8.mol

Synonyms:5-etienic acid

Chemical Property of 5-Etienic acid

Chemical Property:

• Vapor Pressure: 8.12E-09mmHg at 25°C
• Boiling Point: 435.9°Cat760mmHg
• Flash Point: 206.1°C
• PSA: 37.30000
• Density: 1.1g/cm³
• LogP: 5.04010
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 302.224580195
• Heavy Atom Count: 22
• Complexity: 522

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2C(=O)O)CC=C4C3(CCCC4)C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)O)CC=C4[C@@]3(CCCC4)C