CAS 5779-72-6 | 2,4,5-TRIMETHYLBENZALDEHYDE | CAS Number 5779-72-6

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5779-72-6 | 2,4,5-TRIMETHYLBENZALDEHYDE

CAS No: 5779-72-6 Catalog No: AG003FM3 MDL No:MFCD00017713

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

148.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

148.205g/mol

Monoisotopic Mass:

148.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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