| CAS Number | 1096330-19-6 |
| Catalog Number | AG01BVGR |
| Chemical Name | 4-amino-3-(2-methoxyethoxy)benzoic acid |
| IUPAC Name | 4-amino-3-(2-methoxyethoxy)benzoic acid |
| InChI | InChI=1S/C10H13NO4/c1-14-4-5-15-9-6-7(10(12)13)2-3-8(9)11/h2-3,6H,4-5,11H2,1H3,(H,12,13) |
| InChI Key | MAAMPCMOMGWIBW-UHFFFAOYSA-N |
| MDL Number | MFCD12168716 |
| Molecular Formula | C10H13NO4 |
| Molecular Weight | 211.2145 |
| SMILES | COCCOC1=C(N)C=CC(C(O)=O)=C1 |
| Synonyms | 4-amino-3-(2-methoxyethoxy)benzoic acid,
1096330-19-6,
ZINC37289489,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.217g/mol |
| Monoisotopic Mass | 211.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number