CAS 1219-38-1 | Benzoic acid, 4-hydroxy-, octyl ester | CAS Number 1219-38-1

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1219-38-1 | Benzoic acid, 4-hydroxy-, octyl ester

CAS No: 1219-38-1 Catalog No: AG0016D9 MDL No:MFCD00016482

Product Description

Catalog Number:

AG0016D9

Chemical Name:

Benzoic acid, 4-hydroxy-, octyl ester

CAS Number:

1219-38-1

Molecular Formula:

C15H22O3

Molecular Weight:

250.3334

MDL Number:

MFCD00016482

IUPAC Name:

octyl 4-hydroxybenzoate

InChI:

InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11,16H,2-7,12H2,1H3

InChI Key:

RIKCMEDSBFQFAL-UHFFFAOYSA-N

SMILES:

CCCCCCCCOC(=O)c1ccc(cc1)O

EC Number:

214-943-2

UNII:

4UVK431K6B

NSC Number:

309820

Properties

Complexity:

220

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:

5.4

Literature

Title	Journal
Triplex-forming MicroRNAs form stable complexes with HIV-1 provirus and inhibit its replication.	Applied immunohistochemistry & molecular morphology : AIMM 20101201
New in vitro dermal absorption database and the prediction of dermal absorption under finite conditions for risk assessment purposes.	Regulatory toxicology and pharmacology : RTP 20100101
Optimisation of the caco-2 permeability assay using experimental design methodology.	Pharmaceutical research 20080701
Antifungal activity of octyl gallate: structural criteria and mode of action.	Bioorganic & medicinal chemistry letters 20010212