| CAS Number | 55322-48-0 |
| Catalog Number | AG0035XG(AGN-PC-0SJ096) |
| Chemical Name | 3-phenylpropionic acid, potassium salt |
| IUPAC Name | potassium;3-phenylpropanoate |
| InChI | InChI=1S/C9H10O2.K/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H,10,11);/q;+1/p-1 |
| InChI Key | DPAGNRMJGYANDY-UHFFFAOYSA-M |
| MDL Number | MFCD08797256 |
| Molecular Formula | C9H9KO2 |
| Molecular Weight | 188.2649 |
| SMILES | O=C([O-])CCC1=CC=CC=C1.[K+] |
| Synonyms | Potassium 3-phenylpropanoate,
3-phenylpropionic acid, potassium salt,
55322-48-0,
SCHEMBL5351527,
MFCD08797256,
AKOS003052473,
AKOS022190662,
KS-0000029X,
FT-0699805,
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.267g/mol |
| Monoisotopic Mass | 188.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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