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70679-68-4 | Benzaldehyde, trimethyl-
CAS No: 70679-68-4 Catalog No: AG005GUW MDL No:MFCD01652197
Product Description
Catalog Number:
AG005GUW
Chemical Name:
Benzaldehyde, trimethyl-
CAS Number:
70679-68-4
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
MDL Number:
MFCD01652197
IUPAC Name:
2,3,4-trimethylbenzaldehyde
InChI:
InChI=1S/C10H12O/c1-7-4-5-10(6-11)9(3)8(7)2/h4-6H,1-3H3
InChI Key:
RPZOPDOUASNMNP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1C)C)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 |
|---|---|
| Eryngium foetidum L.: a review. | Fitoterapia 20110401 |
| Identification of character-impact odorants in coriander and wild coriander leaves using gas chromatography-olfactometry (GCO) and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC x GC-TOFMS). | Journal of separation science 20050601 |
| In vivo antifungal activity of the essential oil of Bupleurum gibraltarium against Plasmopara halstedii in sunflower. | Journal of agricultural and food chemistry 20041020 |
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