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Home Aldehydes 2,4,5-Trimethylbenzaldehyde

2,4,5-Trimethylbenzaldehyde

CAS No.:
5779-72-6
Catalog Number:
AG003FM3
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$121
- +
25g
>97.0%(GC)
1 week
United States
$159
- +
Product Description
Catalog Number:
AG003FM3
Chemical Name:
2,4,5-Trimethylbenzaldehyde
CAS Number:
5779-72-6
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
MDL Number:
MFCD00017713
IUPAC Name:
2,4,5-trimethylbenzaldehyde
InChI:
InChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3
InChI Key:
LROJZZICACKNJL-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c(cc1C)C
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
A study on the essential oil of Ferulago campestris: how much does extraction method influence the oil composition? Journal of separation science 20110201
Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain. Journal of chromatography. A 20071221
The disposition and metabolism of durene (1,2,4,5-tetramethylbenzene) in rats. Archives of toxicology 20010101
Properties