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Home Aldehydes 3-Acetylbenzaldehyde

3-Acetylbenzaldehyde

CAS No.:
41908-11-6
Catalog Number:
AG003ITE
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$88
- +
5g
98%
In Stock USA
United States
$350
- +
10g
98%
In Stock USA
United States
$600
- +
25g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG003ITE
Chemical Name:
3-Acetylbenzaldehyde
CAS Number:
41908-11-6
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
MDL Number:
MFCD05865161
IUPAC Name:
3-acetylbenzaldehyde
InChI:
InChI=1S/C9H8O2/c1-7(11)9-4-2-3-8(5-9)6-10/h2-6H,1H3
InChI Key:
QVNFUJVNBRCKNJ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)C(=O)C
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.052g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.161g/mol
Monoisotopic Mass:
148.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Solid-phase chemical synthesis and in vitro biological evaluation of novel 2β-piperazino-(20R)-5α-pregnane-3α,20-diol N-derivatives as anti-leukemic agents. Steroids 20121101
New phenyl-ethanediols from the culture broth of Boletus edulis. Journal of basic microbiology 20070401
Properties