Benzoic acid, 3,4-dihydroxy-, dodecyl ester

Base Information

• Chemical Name: Benzoic acid, 3,4-dihydroxy-, dodecyl ester
• CAS No.: 80003-85-6
• Molecular Formula: C19H30O4
• DSSTox Substance ID: DTXSID10435086
• Nikkaji Number: J697.046J
• Wikidata: Q82249776
• ChEMBL ID: CHEMBL444441

Synonyms:3,4-Dihydroxybenzoic acid dodecyl ester;Dodecyl 3,4-dihydroxybenzoate;Benzoic acid, 3,4-dihydroxy-, dodecyl ester;80003-85-6;CHEMBL444441;SCHEMBL4960394;DTXSID10435086

Chemical Property of Benzoic acid, 3,4-dihydroxy-, dodecyl ester

Chemical Property:

• XLogP3: 6.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 322.21440943
• Heavy Atom Count: 23
• Complexity: 306

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)O

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