| CAS Number | 1098367-46-4 |
| Catalog Number | AG01A8HZ |
| Chemical Name | 2-[3-(4-Methylphenyl)propanamido]acetic acid |
| IUPAC Name | 2-[3-(4-methylphenyl)propanoylamino]acetic acid |
| InChI | InChI=1S/C12H15NO3/c1-9-2-4-10(5-3-9)6-7-11(14)13-8-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16) |
| InChI Key | GAFYDSBFZUJAIL-UHFFFAOYSA-N |
| MDL Number | MFCD11648372 |
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.2524 |
| SMILES | CC1=CC=C(CCC(NCC(O)=O)=O)C=C1 |
| Synonyms | 2-[3-(4-methylphenyl)propanamido]acetic acid,
1098367-46-4,
AC1Q2LWA,
ZINC33433521,
AKOS009364958,
MCULE-3476585314,
NE31803,
EN300-61650,
Z1259155858,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.256g/mol |
| Monoisotopic Mass | 221.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number