| CAS Number | 81722-07-8 |
| Catalog Number | AG01FFFI(AGN-PC-00K1BU) |
| Chemical Name | 2,4-Dimethoxybenzoic acid ethyl ester |
| IUPAC Name | ethyl 2,4-dimethoxybenzoate |
| InChI | InChI=1S/C11H14O4/c1-4-15-11(12)9-6-5-8(13-2)7-10(9)14-3/h5-7H,4H2,1-3H3 |
| InChI Key | HITNTFQLHYWLDI-UHFFFAOYSA-N |
| MDL Number | MFCD02149437 |
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.2265 |
| SMILES | C1(C=CC(OC)=CC=1OC)C(OCC)=O |
| Synonyms | ethyl 2,4-dimethoxybenzoate,
81722-07-8,
2,4-Dimethoxybenzoic acid ethyl ester,
MFCD02149437,
SCHEMBL7488349,
ZINC35101613,
AKOS008717165,
AS-10751,
|
| Complexity | 205 |
| 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 | 5 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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