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Home Aldehydes 4-tert-Butylbenzaldehyde

4-tert-Butylbenzaldehyde

CAS No.:
939-97-9
Catalog Number:
AG003M1L
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$25
- +
100g
95%
In Stock USA
United States
$63
- +
500g
95%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003M1L
Chemical Name:
4-tert-Butylbenzaldehyde
CAS Number:
939-97-9
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD00035742
IUPAC Name:
4-tert-butylbenzaldehyde
InChI:
InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
InChI Key:
OTXINXDGSUFPNU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(C)(C)C
EC Number:
213-367-9
UNII:
QXF0QY8503
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Environmental green chemistry as defined by photocatalysis. Journal of hazardous materials 20070731
3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors. Bioorganic & medicinal chemistry 20070301
Partial oxidation of 4-tert-butyltoluene catalyzed by homogeneous cobalt and cerium acetate catalysts in the Br-/H2O2/acetic acid system: insights into selectivity and mechanism. Chemistry (Weinheim an der Bergstrasse, Germany) 20070101
A MALDI-chip integrated system with a monitoring window. Lab on a chip 20050401
Inhibitory effects on mushroom tyrosinase by some alkylbenzaldehydes. Journal of enzyme inhibition and medicinal chemistry 20031201
Properties