CAS 1579-40-4 | Benzene, 1,1'-oxybis[4-methyl- | CAS Number 1579-40-4

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1579-40-4 | Benzene, 1,1'-oxybis[4-methyl-

CAS No: 1579-40-4 Catalog No: AG001PTL MDL No:MFCD00025979

Product Description

Catalog Number:

AG001PTL

Chemical Name:

Benzene, 1,1'-oxybis[4-methyl-

CAS Number:

1579-40-4

Molecular Formula:

C14H14O

Molecular Weight:

198.2604

MDL Number:

MFCD00025979

IUPAC Name:

1-methyl-4-(4-methylphenoxy)benzene

InChI:

InChI=1S/C14H14O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3

InChI Key:

YWYHGNUFMPSTTR-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)Oc1ccc(cc1)C

EC Number:

216-423-0

Properties

Complexity:

154

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.265g/mol

Monoisotopic Mass:

198.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

9.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2

Literature

Title	Journal
OH-initiated oxidation of toluene. 3. Low-energy routes to cresol and oxoheptadienal.	The journal of physical chemistry. A 20080221
OH-initiated oxidation of toluene. 2. Master equation simulation of toluene oxide isomerization.	The journal of physical chemistry. A 20070517
Kinetically controlled self-assembly of pseudorotaxanes on crystallization.	Organic letters 20060511