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126-00-1 | Benzenebutanoic acid, 4-hydroxy-γ-(4-hydroxyphenyl)-γ-methyl-
CAS No: 126-00-1 Catalog No: AG000QOD MDL No:MFCD00002800
Product Description
Catalog Number:
AG000QOD
Chemical Name:
Benzenebutanoic acid, 4-hydroxy-γ-(4-hydroxyphenyl)-γ-methyl-
CAS Number:
126-00-1
Molecular Formula:
C17H18O4
Molecular Weight:
286.3224
MDL Number:
MFCD00002800
IUPAC Name:
4,4-bis(4-hydroxyphenyl)pentanoic acid
InChI:
InChI=1S/C17H18O4/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,18-19H,10-11H2,1H3,(H,20,21)
InChI Key:
VKOUCJUTMGHNOR-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C
EC Number:
204-763-2
UNII:
2SIZ2CO5L3
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
286.327g/mol
Monoisotopic Mass:
286.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
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|---|---|
| Modeling adsorption rate of organic micropollutants present in landfill leachates onto granular activated carbon. | Journal of colloid and interface science 20121101 |
| Quantum dots capped with dummy molecularly imprinted film as luminescent sensor for the determination of tetrabromobisphenol A in water and soils. | Journal of agricultural and food chemistry 20121024 |
| Thiol-promoted catalytic synthesis of diphenolic acid with sulfonated hyperbranched poly(arylene oxindole)s. | Chemical communications (Cambridge, England) 20120411 |
| Dummy molecularly imprinted polymers on silica particles for selective solid-phase extraction of tetrabromobisphenol A from water samples. | Journal of chromatography. A 20120113 |
| Comparison of flow cytometry- and microscopy-based methods for measuring micronucleated reticulocyte frequencies in rodents treated with nongenotoxic and genotoxic chemicals. | Mutation research 20080108 |
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | Journal of molecular graphics & modelling 20061101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Mass spectra of copolymers which display compositional drifts or sequence constraints. | Journal of the American Society for Mass Spectrometry 20040301 |
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