CAS 5153-25-3 | 2-Ethylhexyl 4-hydroxybenzoate | CAS Number 5153-25-3

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5153-25-3 | 2-Ethylhexyl 4-hydroxybenzoate

CAS No: 5153-25-3 Catalog No: AG003H7R MDL No:MFCD00016472

Product Description

Catalog Number:

AG003H7R

Chemical Name:

2-Ethylhexyl 4-hydroxybenzoate

CAS Number:

5153-25-3

Molecular Formula:

C15H22O3

Molecular Weight:

250.3334

MDL Number:

MFCD00016472

IUPAC Name:

2-ethylhexyl 4-hydroxybenzoate

InChI:

InChI=1S/C15H22O3/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3

InChI Key:

VTIMKVIDORQQFA-UHFFFAOYSA-N

SMILES:

CCCCC(COC(=O)c1ccc(cc1)O)CC

EC Number:

225-925-9

Properties

Complexity:

232

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.157g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.338g/mol

Monoisotopic Mass:

250.157g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5

Literature

Title	Journal
In vivo antidepressant activity of sesquiterpenes from the roots of Valeriana fauriei Briq.	Fitoterapia 20120401
Comparative study of the uterotrophic potency of 14 chemicals in a uterotrophic assay and their receptor-binding affinity.	Toxicology letters 20040115