Suberate

Base Information

• Chemical Name: Suberate
• CAS No.: 58447-36-2
• Molecular Formula: C8H12O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID00413151
• Nikkaji Number: J367.327H
• Wikidata: Q27145851
• Mol file: 58447-36-2.mol

Synonyms:octanedioate;suberate;suberate(2-);octanedioate(2-);58447-36-2;CHEBI:76282;DTXSID00413151;TYFQFVWCELRYAO-UHFFFAOYSA-L;C8-DCA(2-);BDBM50270010;A828165;Q27145851

Chemical Property of Suberate

Chemical Property:

• Vapor Pressure: 6.96E-07mmHg at 25°C
• Refractive Index: 1.501
• Boiling Point: 386.8°Cat760mmHg
• Flash Point: 201.9°C
• PSA: 80.26000
• Density: 1.2g/cm³
• LogP: -1.17320
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 172.07355886
• Heavy Atom Count: 12
• Complexity: 124

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCC(=O)[O-])CCC(=O)[O-]