| CAS Number | 1017053-35-8 |
| Catalog Number | AG019V98 |
| Chemical Name | 4-Methoxy-3-(2-methoxy-2-oxoethoxy)benzoic acid |
| IUPAC Name | 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoic acid |
| InChI | InChI=1S/C11H12O6/c1-15-8-4-3-7(11(13)14)5-9(8)17-6-10(12)16-2/h3-5H,6H2,1-2H3,(H,13,14) |
| InChI Key | FEQADSXQFMGTJJ-UHFFFAOYSA-N |
| MDL Number | MFCD09935716 |
| Molecular Formula | C11H12O6 |
| Molecular Weight | 240.2094 |
| SMILES | COC(COC1=C(OC)C=CC(C(O)=O)=C1)=O |
| Synonyms | 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoic acid,
1017053-35-8,
SCHEMBL20328569,
CTK7A7376,
AC1Q4483,
ZINC19471394,
AKOS000178361,
MCULE-8356566932,
NE51346,
EN300-44134,
AB00997150-01,
Z451350302,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.211g/mol |
| Monoisotopic Mass | 240.063g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 82.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number