| CAS Number | 63787-32-6 |
| Catalog Number | AG019WJR(AGN-PC-00O3UB) |
| Chemical Name | 4-(2-methoxy-2-oxoethoxy)benzoic acid |
| IUPAC Name | 4-(2-methoxy-2-oxoethoxy)benzoic acid |
| InChI | InChI=1S/C10H10O5/c1-14-9(11)6-15-8-4-2-7(3-5-8)10(12)13/h2-5H,6H2,1H3,(H,12,13) |
| InChI Key | SPBVJVFCFLINPJ-UHFFFAOYSA-N |
| MDL Number | MFCD09947760 |
| Molecular Formula | C10H10O5 |
| Molecular Weight | 210.1834 |
| SMILES | COC(=O)COC1=CC=C(C=C1)C(=O)O |
| Synonyms | 4-(2-methoxy-2-oxoethoxy)benzoic acid,
63787-32-6,
4-(Methoxycarbonylmethoxy)benzoic acid,
Methyl p-carboxyphenoxyacetate,
AC1Q448H,
SCHEMBL3528003,
CTK6J2687,
SPBVJVFCFLINPJ-UHFFFAOYSA-N,
4-methoxycarbonylmethoxybenzoic acid,
4-Methoxycarbonyl-methoxybenzoic acid,
MFCD09947760,
ZINC19512534,
AKOS000193243,
MCULE-7292497228,
NE59951,
4-(methoxycarbonylmethyloxy)benzoic acid,
EN300-52192,
Z227717696,
|
| Complexity | 230 |
| 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 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number