| CAS Number | 113496-13-2 |
| Catalog Number | AG019WB2(AGN-PC-00O3UA) |
| Chemical Name | 3-(2-Methoxy-2-oxoethoxy)benzoic acid |
| IUPAC Name | 3-(2-methoxy-2-oxoethoxy)benzoic acid |
| InChI | InChI=1S/C10H10O5/c1-14-9(11)6-15-8-4-2-3-7(5-8)10(12)13/h2-5H,6H2,1H3,(H,12,13) |
| InChI Key | HWVYHIGFOQWPMJ-UHFFFAOYSA-N |
| MDL Number | MFCD09943982 |
| Molecular Formula | C10H10O5 |
| Molecular Weight | 210.1834 |
| SMILES | COC(COC1=CC(C(O)=O)=CC=C1)=O |
| Synonyms | 3-(2-methoxy-2-oxoethoxy)benzoic acid,
113496-13-2,
Benzoic acid, 3-(2-methoxy-2-oxoethoxy)-,
SCHEMBL874138,
CTK6J2702,
AC1Q4488,
ZINC19504011,
AKOS000185553,
MCULE-7799713489,
NE62483,
EN300-51301,
J-002972,
Z227740792,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.185g/mol |
| Monoisotopic Mass | 210.053g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number