sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Di-p-tolyl ether

Di-p-tolyl ether

CAS No.:
1579-40-4
Catalog Number:
AG001PTL
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
In Stock USA
United States
$244
- +
Product Description
Catalog Number:
AG001PTL
Chemical Name:
Di-p-tolyl ether
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.104g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.265g/mol
Monoisotopic Mass:
198.104g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties