Home Aldehydes 3-tert-Butylbenzaldehyde

3-tert-Butylbenzaldehyde

CAS No.:
23039-28-3
Catalog Number:
AG002LYZ
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$73
- +
1g
96%
In Stock USA
United States
$167
- +
5g
96%
In Stock USA
United States
$467
- +
25g
96%
In Stock USA
United States
$1865
- +
Product Description
Catalog Number:
AG002LYZ
Chemical Name:
3-tert-Butylbenzaldehyde
CAS Number:
23039-28-3
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD11100027
IUPAC Name:
3-tert-butylbenzaldehyde
InChI:
InChI=1S/C11H14O/c1-11(2,3)10-6-4-5-9(7-10)8-12/h4-8H,1-3H3
InChI Key:
HKEQMVXZDQLSDY-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)C(C)(C)C
Properties
Complexity:
155  
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:
3.3  
Literature
Title Journal
Mechanistic aspects of the formation of aldehydes and nitriles in photosensitized reactions of aldoxime ethers. The Journal of organic chemistry 20070525
Properties