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1,3-Diacetylbenzene

CAS No.:
6781-42-6
Catalog Number:
AG003DIK
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$50
- +
5g
99%(GC)
In Stock USA
United States
$109
- +
25g
95%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG003DIK
Chemical Name:
1,3-Diacetylbenzene
CAS Number:
6781-42-6
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD00008740
IUPAC Name:
1-(3-acetylphenyl)ethanone
InChI:
InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3
InChI Key:
VCHOFVSNWYPAEF-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1)C(=O)C
EC Number:
229-842-9
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Metal self-recognition: a pathway to control the formation of dihelicates and mesocates. Dalton transactions (Cambridge, England : 2003) 20121121
Axonopathy-inducing 1,2-diacetylbenzene forms adducts with motor and cytoskeletal proteins required for axonal transport. Neurochemical research 20071201
Synthesis and spectroscopic characterization of cationic mononuclear oxovanadium(IV) complexes with tetradentate Schiff bases as ligands. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20021001
Amino acid and protein targets of 1,2-diacetylbenzene, a potent aromatic gamma-diketone that induces proximal neurofilamentous axonopathy. Toxicology and applied pharmacology 20020815
Properties