| CAS Number | 1016720-46-9 |
| Catalog Number | AG01A9D3 |
| Chemical Name | 3-[(2-Hydroxy-4-methylphenyl)formamido]propanoic acid |
| IUPAC Name | 3-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid |
| InChI | InChI=1S/C11H13NO4/c1-7-2-3-8(9(13)6-7)11(16)12-5-4-10(14)15/h2-3,6,13H,4-5H2,1H3,(H,12,16)(H,14,15) |
| InChI Key | IJMKWUWHMJMDSS-UHFFFAOYSA-N |
| MDL Number | MFCD09931846 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | CC1=CC(O)=C(C(NCCC(O)=O)=O)C=C1 |
| Synonyms | 3-[(2-hydroxy-4-methylphenyl)formamido]propanoic acid,
1016720-46-9,
AC1Q2J6U,
ZINC19433401,
AKOS000170541,
MCULE-6316514916,
NE34513,
EN300-64750,
|
| Complexity | 267 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.228g/mol |
| Monoisotopic Mass | 223.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 86.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number