Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C11H13O2.Na |
| Molecular Weight | 200.2095 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC(C)(C)C1=CC=C(C=C1)C([O-])=O
InChI
InChIKey=KTTMJIJHZNYOFB-UHFFFAOYSA-M
InChI=1S/C11H14O2.Na/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);/q;+1/p-1
| Molecular Formula | C11H13O2 |
| Molecular Weight | 177.2197 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| A confirmatory method for the determination of phenolic endocrine disruptors in honey using restricted-access material-liquid chromatography-tandem mass spectrometry. | 2010-10 |
|
| Determination of endocrine disruptors in honey by CZE-MS using restricted access materials for matrix cleanup. | 2010-07 |
|
| Binding of alkylphenols and alkylated non-phenolics to rainbow trout (Oncorhynchus mykiss) hepatic estrogen receptors. | 2008-02 |
|
| Determination of endocrine-disrupting compounds in cereals by pressurized liquid extraction and liquid chromatography-mass spectrometry. Study of background contamination. | 2006-12-29 |
|
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | 2006-11 |
|
| Double fluorescence conversion in ultraviolet and visible region for some praseodymium complexes of aromatic carboxylates. | 2006-07 |
|
| Host-guest assembly of ligand systems for metal ion complexation. Synergistic solvent extraction of copper(II) and silver(I) by 1,4,8,11-tetrabenzyl-1,4,8,11-tetraazacyclodecane in combination with carboxylic acids. | 2004-11-21 |
|
| Determination of weakly acidic endocrine-disrupting compounds by liquid chromatography-mass spectrometry with post-column base addition. | 2004-11-12 |
|
| Noncovalent binding of sensitizers for lanthanide(III) luminescence in an EDTA-bis(beta-cyclodextrin) ligand. | 2002-03-06 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 18:49:55 GMT 2025
by
admin
on
Wed Apr 02 18:49:55 GMT 2025
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| Record UNII |
L4N2RM5466
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| Record Status |
Validated (UNII)
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| Record Version |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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