Isohelenol

Base Information

• Chemical Name: Isohelenol
• CAS No.: 71013-32-6
• Molecular Formula: C15H18O5
• Molecular Weight: 278.3004
• DSSTox Substance ID: DTXSID70221245
• Nikkaji Number: J2.770.062D
• Wikidata: Q27106982
• Metabolomics Workbench ID: 68219
• ChEMBL ID: CHEMBL465750
• Mol file: 71013-32-6.mol

Synonyms:isohelenol

Chemical Property of Isohelenol

Chemical Property:

• Vapor Pressure: 1.18E-14mmHg at 25°C
• Boiling Point: 555.5°Cat760mmHg
• Flash Point: 212.5°C
• Density: 1.36g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 278.11542367
• Heavy Atom Count: 20
• Complexity: 547

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C(=C(C(=O)O2)CO)C(C3(C1C=CC3=O)C)O
• Isomeric SMILES: C[C@@H]1C[C@@H]2C(=C(C(=O)O2)CO)[C@@H]([C@]3([C@H]1C=CC3=O)C)O