| CAS Number | 1096835-51-6 |
| Catalog Number | AG01BV9A |
| Chemical Name | 4-amino-3-[(dimethylcarbamoyl)methoxy]benzoic acid |
| IUPAC Name | 4-amino-3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid |
| InChI | InChI=1S/C11H14N2O4/c1-13(2)10(14)6-17-9-5-7(11(15)16)3-4-8(9)12/h3-5H,6,12H2,1-2H3,(H,15,16) |
| InChI Key | HJTSGYSOZKXASX-UHFFFAOYSA-N |
| MDL Number | MFCD12410222 |
| Molecular Formula | C11H14N2O4 |
| Molecular Weight | 238.2399 |
| SMILES | CN(C(COC1=C(N)C=CC(C(O)=O)=C1)=O)C |
| Synonyms | 4-amino-3-[(dimethylcarbamoyl)methoxy]benzoic acid,
1096835-51-6,
ZINC37289550,
AKOS009476308,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.243g/mol |
| Monoisotopic Mass | 238.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number