3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid

Base Information

• Chemical Name: 3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid
• CAS No.: 66551-60-8
• Molecular Formula: C38H56O4
• Molecular Weight: 576.85
• DSSTox Substance ID: DTXSID801257981
• Metabolomics Workbench ID: 29094
• Nikkaji Number: J2.755.454G
• Wikidata: Q27102103

Synonyms:3-methoxy-4-hydroxy-5-hexaprenylbenzoic acid;3-MHHB

Chemical Property of 3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 3.02E-20mmHg at 25°C
• Boiling Point: 694.5°C at 760 mmHg
• Flash Point: 204.1°C
• Density: 0.994g/cm³
• XLogP3: 12.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 19
• Exact Mass: 576.41786026
• Heavy Atom Count: 42
• Complexity: 987

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• Canonical SMILES: CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C(=CC(=C1)C(=O)O)OC)O)C)C)C)C)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)C(=O)O)OC)O)/C)/C)/C)/C)/C)C

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