| CAS Number | 256664-96-7 |
| Catalog Number | AG019ETB(AGN-PC-0WQVOJ) |
| Chemical Name | Methyl 2-ethyl-6-methoxybenzoate |
| IUPAC Name | methyl 2-ethyl-6-methoxybenzoate |
| InChI | InChI=1S/C11H14O3/c1-4-8-6-5-7-9(13-2)10(8)11(12)14-3/h5-7H,4H2,1-3H3 |
| InChI Key | JCXJSYHHMQHBRM-UHFFFAOYSA-N |
| MDL Number | MFCD18904851 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | COC(=O)c1c(CC)cccc1OC |
| Synonyms | methyl 2-ethyl-6-methoxybenzoate,
256664-96-7,
MFCD18904851,
ZINC38235004,
TZ000728,
2-Ethyl-6-methoxybenzoic acid methyl ester,
CS-0037945,
Methyl 2-ethyl-6-methoxy-benzoate,
CID11095500,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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