| CAS Number | 60893-68-7 |
| Catalog Number | AG00IARO(AGN-PC-02MO1L) |
| Chemical Name | Methyl 4-(2-methoxyethoxy)benzoate |
| IUPAC Name | methyl 4-(2-methoxyethoxy)benzoate |
| InChI | InChI=1S/C11H14O4/c1-13-7-8-15-10-5-3-9(4-6-10)11(12)14-2/h3-6H,7-8H2,1-2H3 |
| InChI Key | MICGBQSMTKKKJM-UHFFFAOYSA-N |
| MDL Number | MFCD20760957 |
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.2265 |
| SMILES | COCCOc1ccc(cc1)C(=O)OC |
| Synonyms | methyl 4-(2-methoxyethoxy)benzoate,
60893-68-7,
Benzoic acid, 4-(2-methoxyethoxy)-, methyl ester,
SCHEMBL386165,
MICGBQSMTKKKJM-UHFFFAOYSA-N,
ZINC9280667,
AKOS000348824,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.229g/mol |
| Monoisotopic Mass | 210.089g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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