CAS 2460-87-9 | Phenol, 4-(1,1-dimethylethoxy)- | CAS Number 2460-87-9

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2460-87-9 | Phenol, 4-(1,1-dimethylethoxy)-

CAS No: 2460-87-9 Catalog No: AG002OPL MDL No:MFCD02183556

Product Description

Catalog Number:

AG002OPL

Chemical Name:

Phenol, 4-(1,1-dimethylethoxy)-

CAS Number:

2460-87-9

Molecular Formula:

C10H14O2

Molecular Weight:

166.2170

MDL Number:

MFCD02183556

IUPAC Name:

4-[(2-methylpropan-2-yl)oxy]phenol

InChI:

InChI=1S/C10H14O2/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7,11H,1-3H3

InChI Key:

CIICLJLSRUHUBY-UHFFFAOYSA-N

SMILES:

CC(Oc1ccc(cc1)O)(C)C

UNII:

4W56A32OU8

Properties

Complexity:

129

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

166.22g/mol

Monoisotopic Mass:

166.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Structural toxicity relationship of 4-alkoxyphenols' cytotoxicity towards murine B16-F0 melanoma cell line.	Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques 20050818