4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid

Base Information

• Chemical Name: 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid
• CAS No.: 99769-56-9
• Molecular Formula: C12H18O4
• Molecular Weight: 226.2689
• European Community (EC) Number: 309-033-8
• DSSTox Substance ID: DTXSID10912483
• Nikkaji Number: J333.767G
• Wikidata: Q82882762
• Mol file: 99769-56-9.mol

Synonyms:99769-56-9;((4-Methylenecyclohexyl)methyl) hydrogen succinate;EINECS 309-033-8;4-[(4-methylidenecyclohexyl)methoxy]-4-oxobutanoic acid;[(4-methylenecyclohexyl)methyl] hydrogen succinate;DTXSID10912483;[(4-Methylenecyclohexyl)methyl]hydrogen succinate;Butanedioic acid hydrogen 1-[(4-methylenecyclohexyl)methyl] ester

Chemical Property of 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 2.65E-06mmHg at 25°C
• Boiling Point: 364.4°Cat760mmHg
• Flash Point: 136.2°C
• PSA: 26.30000
• Density: 1.12g/cm³
• LogP: 3.87670
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 226.12050905
• Heavy Atom Count: 16
• Complexity: 273

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C1CCC(CC1)COC(=O)CCC(=O)O

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