1-Ethyl-3,5-adamantanedicarboxylic acid

Base Information

• Chemical Name: 1-Ethyl-3,5-adamantanedicarboxylic acid
• CAS No.: 313241-29-1
• Molecular Formula: C14H20O4
• Molecular Weight: 252.31
• DSSTox Substance ID: DTXSID10393990
• Mol file: 313241-29-1.mol

Synonyms:1-ethyl-3,5-adamantanedicarboxylic acid;5-ethyladamantane-1,3-dicarboxylic Acid;313241-29-1;Oprea1_008286;SCHEMBL9402854;DTXSID10393990;5-ethyl-1,3-adamantanedicarboxylic;AKOS004117790

Chemical Property of 1-Ethyl-3,5-adamantanedicarboxylic acid

Chemical Property:

• Boiling Point: 387 °C at 760 mmHg
• Flash Point: 202 °C
• PSA: 74.60000
• Density: 1.358 g/cm³
• LogP: 2.52240
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 252.13615911
• Heavy Atom Count: 18
• Complexity: 398

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC12CC3CC(C1)(CC(C3)(C2)C(=O)O)C(=O)O