Home Other Building Blocks 1-Ethyl-2-methylbenzene

1-Ethyl-2-methylbenzene

CAS No.:
611-14-3
Catalog Number:
AG003H89
Molecular Formula:
C9H12
Molecular Weight:
120.1916
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Product Description
Catalog Number:
AG003H89
Chemical Name:
1-Ethyl-2-methylbenzene
CAS Number:
611-14-3
Molecular Formula:
C9H12
Molecular Weight:
120.1916
MDL Number:
MFCD00009257
IUPAC Name:
1-ethyl-2-methylbenzene
InChI:
InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
InChI Key:
HYFLWBNQFMXCPA-UHFFFAOYSA-N
SMILES:
CCc1ccccc1C
UNII:
DBX00873SV
NSC Number:
405731
Properties
Complexity:
76.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.094g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.195g/mol
Monoisotopic Mass:
120.094g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Thermochemical data and additivity group values for ten species of o-xylene low-temperature oxidation mechanism. The journal of physical chemistry. A 20120112
Comparing the effects of weathering and microbial degradation on gasoline using principal components analysis. Journal of forensic sciences 20120101
Revolving hollow fiber-liquid phase microextraction coupled to GC/MS using electron ionization for quantification of five aromatic hydrocarbon isomers. Journal of separation science 20090901
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
DNA damage in outdoor workers occupationally exposed to environmental air pollutants. Occupational and environmental medicine 20060401
Influence of ethanol-gasoline blended fuel on emission characteristics from a four-stroke motorcycle engine. Journal of hazardous materials 20050831
Decoys for docking. Journal of medicinal chemistry 20050602
In situ biodegradation determined by carbon isotope fractionation of aromatic hydrocarbons in an anaerobic landfill leachate plume (Vejen, Denmark). Journal of contaminant hydrology 20030601
Properties