CAS 1611-03-6 | Benzeneacetic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy- | CAS Number 1611-03-6

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1611-03-6 | Benzeneacetic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

CAS No: 1611-03-6 Catalog No: AG001S5Y MDL No:MFCD00156138

Product Description

Catalog Number:

AG001S5Y

Chemical Name:

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

CAS Number:

1611-03-6

Molecular Formula:

C16H24O3

Molecular Weight:

264.3600

MDL Number:

MFCD00156138

IUPAC Name:

2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid

InChI:

InChI=1S/C16H24O3/c1-15(2,3)11-7-10(9-13(17)18)8-12(14(11)19)16(4,5)6/h7-8,19H,9H2,1-6H3,(H,17,18)

InChI Key:

QLMGIWHWWWXXME-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

Properties

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.173g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.365g/mol

Monoisotopic Mass:

264.173g/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