| CAS Number | 1083317-38-7 |
| Catalog Number | AG01AJAV(AGN-PC-0WOQB8) |
| Chemical Name | 2-(3-Fluorophenyl)-2-hydroxypropanoic acid |
| IUPAC Name | 2-(3-fluorophenyl)-2-hydroxypropanoic acid |
| InChI | InChI=1S/C9H9FO3/c1-9(13,8(11)12)6-3-2-4-7(10)5-6/h2-5,13H,1H3,(H,11,12) |
| InChI Key | YRQHJHMZTAVAGK-UHFFFAOYSA-N |
| MDL Number | MFCD14601994 |
| Molecular Formula | C9H9FO3 |
| Molecular Weight | 184.1644 |
| SMILES | CC(C1=CC(F)=CC=C1)(C(O)=O)O |
| Synonyms | 2-(3-fluorophenyl)-2-hydroxypropanoic acid,
1083317-38-7,
SCHEMBL1827704,
MFCD14601994,
AKOS010486950,
MCULE-1967607702,
NE47492,
BS-12271,
EN300-80224,
Z1259340999,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.166g/mol |
| Monoisotopic Mass | 184.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number