| CAS Number | 302345-89-7 |
| Catalog Number | AG019JZQ |
| Chemical Name | 3-(3-phenylprop-2-enamido)propanoic acid |
| IUPAC Name | 3-(3-phenylprop-2-enoylamino)propanoic acid |
| InChI | InChI=1S/C12H13NO3/c14-11(13-9-8-12(15)16)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)(H,15,16) |
| InChI Key | RHVXIMHTRDBXMQ-UHFFFAOYSA-N |
| MDL Number | MFCD02323154 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | OC(CCNC(C=CC1=CC=CC=C1)=O)=O |
| Synonyms | 3-(3-phenylprop-2-enamido)propanoic acid,
302345-89-7,
AC1MDKWF,
3-(3-phenylprop-2-enoylamino)propanoic Acid,
CTK7F3212,
AKOS030698897,
MCULE-5576632337,
CID2791330,
3-{[(2E)-3-phenylprop-2-enoyl]amino}propanoic acid,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.09g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number