| CAS Number | 1249109-09-8 |
| Catalog Number | AG01A1H8 |
| Chemical Name | 2-{3-[(methylcarbamoyl)methoxy]phenyl}acetic acid |
| IUPAC Name | 2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetic acid |
| InChI | InChI=1S/C11H13NO4/c1-12-10(13)7-16-9-4-2-3-8(5-9)6-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15) |
| InChI Key | ROCDRGXGZRQCGW-UHFFFAOYSA-N |
| MDL Number | MFCD14658992 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | CNC(COC1=CC(CC(O)=O)=CC=C1)=O |
| Synonyms | 2-{3-[(methylcarbamoyl)methoxy]phenyl}acetic acid,
1249109-09-8,
ZINC42417276,
AKOS010657995,
MCULE-1890733521,
NE35875,
Z1474026238,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.228g/mol |
| Monoisotopic Mass | 223.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number