| CAS Number | 888296-99-9 |
| Catalog Number | AG01A97S |
| Chemical Name | 2-{4-[(Propylcarbamoyl)amino]phenyl}acetic acid |
| IUPAC Name | 2-[4-(propylcarbamoylamino)phenyl]acetic acid |
| InChI | InChI=1S/C12H16N2O3/c1-2-7-13-12(17)14-10-5-3-9(4-6-10)8-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,17) |
| InChI Key | OEHONRFHRZZZLP-UHFFFAOYSA-N |
| MDL Number | MFCD07073841 |
| Molecular Formula | C12H16N2O3 |
| Molecular Weight | 236.2670 |
| SMILES | CCCNC(NC1=CC=C(CC(O)=O)C=C1)=O |
| Synonyms | 2-{4-[(propylcarbamoyl)amino]phenyl}acetic acid,
888296-99-9,
AC1Q2Y26,
SCHEMBL13926075,
ZINC20256565,
AKOS008113381,
MCULE-1261480499,
NE42902,
EN300-64414,
Z234895889,
2-(4-[(propylcarbamoyl)amino]phenyl)acetic acid,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.271g/mol |
| Monoisotopic Mass | 236.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number