Decarestrictine B

Base Information

• Chemical Name: Decarestrictine B
• CAS No.: 127393-91-3
• Molecular Formula: C10H14 O5
• Molecular Weight: 214.2152
• DSSTox Substance ID: DTXSID40155548
• Nikkaji Number: J475.573A
• Wikidata: Q83023479
• Mol file: 127393-91-3.mol

Synonyms:decarestrictine B

Chemical Property of Decarestrictine B

Chemical Property:

• Vapor Pressure: 1.59E-10mmHg at 25°C
• Boiling Point: 463.2°Cat760mmHg
• Flash Point: 188.3°C
• PSA: 76.13000
• Density: 1.273g/cm³
• LogP: -0.20060
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 214.08412354
• Heavy Atom Count: 15
• Complexity: 288

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C(O2)C(CC(=O)CC(=O)O1)O
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@H](O2)[C@H](CC(=O)CC(=O)O1)O