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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:
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 |
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