| CAS Number | 855658-53-6 |
| Catalog Number | AG01BV36(AGN-PC-0WCQT5) |
| Chemical Name | 2-(3-Methoxyphenyl)malonic acid |
| IUPAC Name | 2-(3-methoxyphenyl)propanedioic acid |
| InChI | InChI=1S/C10H10O5/c1-15-7-4-2-3-6(5-7)8(9(11)12)10(13)14/h2-5,8H,1H3,(H,11,12)(H,13,14) |
| InChI Key | HGBGAUXIRCRRLR-UHFFFAOYSA-N |
| MDL Number | MFCD19316669 |
| Molecular Formula | C10H10O5 |
| Molecular Weight | 210.1834 |
| SMILES | O=C(O)C(C1=CC=CC(OC)=C1)C(O)=O |
| Synonyms | 2-(3-methoxyphenyl)propanedioic acid,
855658-53-6,
SCHEMBL9765684,
ZINC49814721,
AKOS022344603,
|
| Complexity | 236 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.185g/mol |
| Monoisotopic Mass | 210.053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number