Octahydro-4,7-methano-1H-indene-5-carboxylic acid

Base Information

• Chemical Name: Octahydro-4,7-methano-1H-indene-5-carboxylic acid
• CAS No.: 85909-52-0
• Molecular Formula: C11H16 O2
• Molecular Weight: 180.24354
• European Community (EC) Number: 288-856-3
• DSSTox Substance ID: DTXSID801231329
• Nikkaji Number: J317.503K
• Mol file: 85909-52-0.mol

Synonyms:Octahydro-4,7-methano-1H-indene-5-carboxylic acid;85909-52-0;EINECS 288-856-3;SCHEMBL8007371;PLPOOSRONAYTQI-UHFFFAOYSA-N;DTXSID801231329;NS00066049

Chemical Property of Octahydro-4,7-methano-1H-indene-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000331mmHg at 25°C
• Boiling Point: 297.1°C at 760 mmHg
• Flash Point: 139°C
• PSA: 37.30000
• Density: 1.188g/cm³
• LogP: 2.14330
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2C(C1)C3CC2CC3C(=O)O