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Home Aldehydes 4-Acetoxybenzaldehyde

4-Acetoxybenzaldehyde

CAS No.:
878-00-2
Catalog Number:
AG003KMF
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$33
- +
5g
95%
In Stock USA
United States
$47
- +
25g
95%
In Stock USA
United States
$96
- +
100g
95%
In Stock USA
United States
$204
- +
Product Description
Catalog Number:
AG003KMF
Chemical Name:
4-Acetoxybenzaldehyde
CAS Number:
878-00-2
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD00003384
IUPAC Name:
(4-formylphenyl) acetate
InChI:
InChI=1S/C9H8O3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-6H,1H3
InChI Key:
SEVSMVUOKAMPDO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OC(=O)C
EC Number:
212-898-3
NSC Number:
40537
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
4-{[8-(4-Acetyl-oxybenzo-yl)-2,7-dimeth-oxy-naphthalen-1-yl]carbon-yl}phenyl acetate. Acta crystallographica. Section E, Structure reports online 20120801
Synthesis and characterization of a novel functionalized azanonaborane cluster for boron neutron capture therapy. Organic & biomolecular chemistry 20050607
Properties