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Home Other Building Blocks 3-Ethyltoluene

3-Ethyltoluene

CAS No.:
620-14-4
Catalog Number:
AG0033P0
Molecular Formula:
C9H12
Molecular Weight:
120.1916
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$19
- +
5g
97%
In Stock USA
United States
$50
- +
25g
97%
In Stock USA
United States
$144
- +
100g
97%
In Stock USA
United States
$413
- +
Product Description
Catalog Number:
AG0033P0
Chemical Name:
3-Ethyltoluene
CAS Number:
620-14-4
Molecular Formula:
C9H12
Molecular Weight:
120.1916
MDL Number:
MFCD00009259
IUPAC Name:
1-ethyl-3-methylbenzene
InChI:
InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChI Key:
ZLCSFXXPPANWQY-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1)C
EC Number:
210-626-8
UNII:
737PTD7O7E
NSC Number:
74176
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:
3.6  
Literature
Title Journal
Antimicrobial Activities of Essential Oil and Methanol Extract of Teucrium montanum. Evidence-based complementary and alternative medicine : eCAM 20070901
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
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
Identification of cis-diols as intermediates in the oxidation of aromatic acids by a strain of Pseudomonas putida that contains a TOL plasmid. Journal of bacteriology 19860601
Properties