1-Ethyl-3-methoxybenzene - CAS 10568-38-4
Catalog: |
BB055175 |
Product Name: |
1-Ethyl-3-methoxybenzene |
CAS: |
10568-38-4 |
Synonyms: |
1-Ethyl-3-methoxybenzene; 3-Ethylanisole; Benzene, 1-ethyl-3-methoxy-; 3-Ethylphenyl(methyl) ether; methylanisol; 3-ethyl-anisole; 3-Ethylphenol, methyl ether |
IUPAC Name: | 1-ethyl-3-methoxybenzene |
Molecular Weight: | 136.19 |
Molecular Formula: | C9H12O |
Canonical SMILES: | CCC1=CC(=CC=C1)OC |
InChI: | InChI=1S/C9H12O/c1-3-8-5-4-6-9(7-8)10-2/h4-7H,3H2,1-2H3 |
InChI Key: | DWLZULQNIPIABE-UHFFFAOYSA-N |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21550812 | 20110601 | Structure-activity relationship of 2-hydroxy-2-aryl-2,3-dihydro-imidazo[1,2-a]pyrimidinium salts and 2N-substituted 4(5)-aryl-2-amino-1H-imidazoles as inhibitors of biofilm formation by Salmonella Typhimurium and Pseudomonas aeruginosa | Bioorganic & medicinal chemistry |
Complexity: | 90.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.088815002 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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