Clavicoronic acid

Base Information

• Chemical Name: Clavicoronic acid
• CAS No.: 139748-98-4
• Molecular Formula: C15H18 O4
• Molecular Weight: 262.31
• DSSTox Substance ID: DTXSID20930577
• Wikidata: Q82905987
• Mol file: 139748-98-4.mol

Synonyms:clavicoronic acid

Chemical Property of Clavicoronic acid

Chemical Property:

• Vapor Pressure: 4.29E-07mmHg at 25°C
• Boiling Point: 387.9°Cat760mmHg
• Flash Point: 202.5°C
• PSA: 71.44000
• Density: 1.236g/cm³
• LogP: 2.14790
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 262.12050905
• Heavy Atom Count: 19
• Complexity: 522

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC2C1CC(C2)(C)C)C=O)C(=O)C(=O)O
• Isomeric SMILES: CC1=C(C(=CC2[C@@H]1CC(C2)(C)C)C=O)C(=O)C(=O)O