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5779-94-2 | 2,5-Dimethylbenzaldehyde
CAS No: 5779-94-2 Catalog No: AG003FZO MDL No:MFCD00003342
Product Description
Catalog Number:
AG003FZO
Chemical Name:
2,5-Dimethylbenzaldehyde
CAS Number:
5779-94-2
Molecular Formula:
C9H10O
Molecular Weight:
134.1751
MDL Number:
MFCD00003342
IUPAC Name:
2,5-dimethylbenzaldehyde
InChI:
InChI=1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3
InChI Key:
SMUVABOERCFKRW-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)ccc1C
EC Number:
227-303-2
UNII:
6M224X1615
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.178g/mol
Monoisotopic Mass:
134.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Carbonyl compounds in gas and particle phases of mainstream cigarette smoke. | The Science of the total environment 20111101 |
| Characterization of carbonyl compounds in the ambient air of an industrial city in Korea. | Sensors (Basel, Switzerland) 20110101 |
| Volatile carbonylic compounds in downtown Santiago, Chile. | Chemosphere 20060201 |
| Airborne carbonyls from motor vehicle emissions in two highway tunnels. | Research report (Health Effects Institute) 20020101 |
| On-road emissions of carbonyls from light-duty and heavy-duty vehicles. | Environmental science & technology 20010101 |
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