| CAS Number | 68294-03-1 |
| Catalog Number | AG00FGXZ(AGN-PC-00GRBB) |
| Chemical Name | 2-(Carboxymethyl)-4-methoxybenzoic acid |
| IUPAC Name | 2-(carboxymethyl)-4-methoxybenzoic acid |
| InChI | InChI=1S/C10H10O5/c1-15-7-2-3-8(10(13)14)6(4-7)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)(H,13,14) |
| InChI Key | BOLRXRKAHDAYHL-UHFFFAOYSA-N |
| MDL Number | MFCD19370449 |
| Molecular Formula | C10H10O5 |
| Molecular Weight | 210.1834 |
| SMILES | COc1ccc(c(c1)CC(=O)O)C(=O)O |
| Synonyms | 2-(Carboxymethyl)-4-methoxybenzoic acid,
68294-03-1,
SCHEMBL744543,
BOLRXRKAHDAYHL-UHFFFAOYSA-N,
KM1193,
ZINC36456426,
2-carboxymethyl-4-methoxybenzoic acid,
2-carboxymethyl-4-methoxy-benzoic acid,
CID11816626,
2-(carboxymethyl)-4-methoxy-benzoic Acid,
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| Complexity | 250 |
| 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 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number