1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid

Base Information

• Chemical Name: 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid
• CAS No.: 78388-31-5
• Molecular Formula: C12H14O4
• Molecular Weight: 222.2372
• NSC Number: 100967
• UNII: 9HF7QCI9IN
• DSSTox Substance ID: DTXSID00229057
• Wikidata: Q83109243

Synonyms:1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid;78388-31-5;NSC100967;9HF7QCI9IN;NSC 100967;NSC-100967;4a,8a-Naphthalenedicarboxylic acid, 1,4,5,8-tetrahydro-;cis-1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid;1,4,5,8-tetrahydronaphthalene-4a,8a-dicarboxylic acid;4a,8a-Naphthalenedicarboxylic acid, 1,4,5,8-tetrahydro-, cis-;3642-04-4;UNII-9HF7QCI9IN;NCIOpen2_007015;DTXSID00229057;AKOS022654388

Chemical Property of 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid

Chemical Property:

• Vapor Pressure: 1.61E-08mmHg at 25°C
• Boiling Point: 427.9°Cat760mmHg
• Flash Point: 226.7°C
• Density: 1.397g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 338

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCC2(C1(CC=CC2)C(=O)O)C(=O)O

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