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54790

Sigma-Aldrich

Propyl 4-hydroxybenzoate

purum, ≥99.0% (GC)

Synonym(s):

4-Hydroxybenzoic acid propyl ester, Propyl paraben

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About This Item

Linear Formula:
HOC6H4CO2CH2CH2CH3
CAS Number:
94-13-3
Molecular Weight:
180.20
Beilstein:
1103245
EC Number:
202-307-7
MDL number:
MFCD00002354
UNSPSC Code:
12352100
PubChem Substance ID:
24878990

grade

purum

Assay

≥99.0% (GC)

mp

95-97 °C
95-98 °C (lit.)

SMILES string

CCCOC(=O)c1ccc(O)cc1

InChI

1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3

InChI key

QELSKZZBTMNZEB-UHFFFAOYSA-N

Gene Information

rat ... Ar(24208)

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Markus A Lill et al.
Journal of medicinal chemistry, 48(18), 5666-5674 (2005-09-02)
We investigated the influence of induced fit of the androgen receptor binding pocket on free energies of ligand binding. On the basis of a novel alignment procedure using flexible docking, molecular dynamics simulations, and linear-interaction energy analysis, we simulated the
Naomi L Kruhlak et al.
Toxicology mechanisms and methods, 18(2-3), 217-227 (2008-01-01)
ABSTRACT Drug-induced phospholipidosis (PL) is a condition characterized by the accumulation of phospholipids and drug in lysosomes, and is found in a variety of tissue types. PL is frequently manifested in preclinical studies and may delay or prevent the development

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