5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid

Base Information

• Chemical Name: 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid
• CAS No.: 16849-38-0
• Molecular Formula: C18H22 O5
• Molecular Weight: 318.3643
• NSC Number: 250988
• DSSTox Substance ID: DTXSID70418395
• Wikidata: Q82228911
• Mol file: 16849-38-0.mol

Synonyms:16849-38-0;NSC250988;SCHEMBL8114077;DTXSID70418395;NSC-250988;3-(5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-yl)propanoic acid;5-HYDROXY-4-METHYL-2-OXO-7-PENTYL-2H-1-BENZOPYRAN-3-PROPANOIC ACID

Chemical Property of 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid

Chemical Property:

• Vapor Pressure: 2.92E-12mmHg at 25°C
• Boiling Point: 534.6°C at 760 mmHg
• Flash Point: 193.1°C
• Density: 1.212g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 318.14672380
• Heavy Atom Count: 23
• Complexity: 482

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC(=C2C(=C(C(=O)OC2=C1)CCC(=O)O)C)O

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