| CAS Number | 1019369-12-0 |
| Catalog Number | AG01A99X |
| Chemical Name | 2-{4-[(Methylcarbamoyl)methoxy]phenyl}acetic acid |
| IUPAC Name | 2-[4-[2-(methylamino)-2-oxoethoxy]phenyl]acetic acid |
| InChI | InChI=1S/C11H13NO4/c1-12-10(13)7-16-9-4-2-8(3-5-9)6-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15) |
| InChI Key | RLBHKRPIMVGNCD-UHFFFAOYSA-N |
| MDL Number | MFCD11131697 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | CNC(COC1=CC=C(CC(O)=O)C=C1)=O |
| Synonyms | 2-{4-[(methylcarbamoyl)methoxy]phenyl}acetic acid,
1019369-12-0,
AC1Q40NE,
ZINC19843633,
AKOS000210828,
MCULE-4264609904,
NE61191,
EN300-64551,
2-(4-[(methylcarbamoyl)methoxy]phenyl)acetic acid,
|
| Complexity | 246 |
| 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 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number