4-Pentylphenylacetic Acid - CAS 14377-21-0
Catalog: |
BB009665 |
Product Name: |
4-Pentylphenylacetic Acid |
CAS: |
14377-21-0 |
Synonyms: |
2-(4-pentylphenyl)acetic acid; 2-(4-pentylphenyl)acetic acid |
IUPAC Name: | 2-(4-pentylphenyl)acetic acid |
Description: | 4-Pentylphenylacetic Acid (CAS# 14377-21-0 ) is a useful research chemical. |
Molecular Weight: | 206.28 |
Molecular Formula: | C13H18O2 |
Canonical SMILES: | CCCCCC1=CC=C(C=C1)CC(=O)O |
InChI: | InChI=1S/C13H18O2/c1-2-3-4-5-11-6-8-12(9-7-11)10-13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15) |
InChI Key: | YAAVVJAWWNQMCY-UHFFFAOYSA-N |
Boiling Point: | 333.6 °C at 760 mmHg |
Density: | 1.035 g/cm3 |
Appearance: | Off-white to light yellow crystalline powder |
LogP: | 3.04640 |
Publication Number | Title | Priority Date |
US-2019100710-A1 | Ester Compounds, Lubricating Oil Compositions Containing Same and Processes for Making Same | 20170929 |
WO-2019067061-A1 | ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND METHODS OF MAKING THE SAME | 20170929 |
CN-111386331-A | Ester compound, lubricating oil composition containing same, and method for producing same | 20170929 |
EP-3688124-A1 | Ester compounds, lubricating oil compositions containing same and processes for making same | 20170929 |
US-10711216-B2 | Ester compounds, lubricating oil compositions containing same and processes for making same | 20170929 |
PMID | Publication Date | Title | Journal |
16176646 | 20050801 | Simultaneous determination of rofecoxib and celecoxib in human plasma by high-performance liquid chromatography | Journal of chromatographic science |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.130679813 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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