CAS 1421-49-4 | Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy- | CAS Number 1421-49-4

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1421-49-4 | Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

CAS No: 1421-49-4 Catalog No: AG001HS9 MDL No:MFCD00008827

Product Description

Catalog Number:

AG001HS9

Chemical Name:

Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

CAS Number:

1421-49-4

Molecular Formula:

C15H22O3

Molecular Weight:

250.3334

MDL Number:

MFCD00008827

IUPAC Name:

3,5-ditert-butyl-4-hydroxybenzoic acid

InChI:

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

InChI Key:

YEXOWHQZWLCHHD-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

EC Number:

215-823-2

UNII:

9F0I7YAG34

Properties

Complexity:

285

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:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
New losartan-hydrocaffeic acid hybrids as antihypertensive-antioxidant dual drugs: Ester, amide and amine linkers.	European journal of medicinal chemistry 20120401
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Determination of synthetic phenolic antioxidants and their metabolites in water samples by downscaled solid-phase extraction, silylation and gas chromatography-mass spectrometry.	Journal of chromatography. A 20101008
Novel compounds designed as antistress agents.	Journal of medicinal chemistry 20091126
Toxicity and effects of 2,6-di-tert-butyl-4-methylphenyl N-methylcarbamate (terbutol) on hepatic cytochrome P450 in F344 rats.	Archives of toxicology 20011101
Synergistic protective effects of antioxidant and nitric oxide synthase inhibitor in transient focal ischemia.	Journal of cerebral blood flow and metabolism : official journal of the International Society of Cerebral Blood Flow and Metabolism 19990201