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Home Aldehydes 4-Butylbenzaldehyde

4-Butylbenzaldehyde

CAS No.:
1200-14-2
Catalog Number:
AG000Q2C
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$100
- +
10g
98%
In Stock USA
United States
$175
- +
25g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG000Q2C
Chemical Name:
4-Butylbenzaldehyde
CAS Number:
1200-14-2
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD00040751
IUPAC Name:
4-butylbenzaldehyde
InChI:
InChI=1S/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H3
InChI Key:
ARIREUPIXAKDAY-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C=O
EC Number:
214-851-2
Properties
Complexity:
123  
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:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors. Bioorganic & medicinal chemistry 20070301
Inhibitory effects on mushroom tyrosinase by some alkylbenzaldehydes. Journal of enzyme inhibition and medicinal chemistry 20031201
Properties