4-(2-Hydroxy-5-propylphenyl)-4-oxobutanoic acid

Base Information

• Chemical Name: 4-(2-Hydroxy-5-propylphenyl)-4-oxobutanoic acid
• CAS No.: 248595-24-6
• Molecular Formula: C13H16 O4
• Molecular Weight: 236.26
• DSSTox Substance ID: DTXSID70379437
• Wikidata: Q82169243
• Mol file: 248595-24-6.mol

Synonyms:4-(2-hydroxy-5-propylphenyl)-4-oxobutanoic acid;248595-24-6;Benzenebutanoic acid, 2-hydroxy-gamma-oxo-5-propyl-;DTXSID70379437;4-(2-HYDROXY-5-PROPYLPHENYL)-4-OXOBUTANOICACID;4-(2-hydroxy-5-propylphenyl)-4-oxobutanoic acid, AldrichCPR

Chemical Property of 4-(2-Hydroxy-5-propylphenyl)-4-oxobutanoic acid

Chemical Property:

• PSA: 74.60000
• LogP: 2.39220
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 236.10485899
• Heavy Atom Count: 17
• Complexity: 275

Purity/Quality:

99% ^*data from raw suppliers

4-(2-HYDROXY-5-PROPYLPHENYL)-4-OXOBUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=C(C=C1)O)C(=O)CCC(=O)O