| CAS Number | 25209-46-5 |
| Catalog Number | AG019U3N(AGN-PC-0R0YOQ) |
| Chemical Name | Benzenepropanoic acid, 4-chloro-b-hydroxy- |
| IUPAC Name | 3-(4-chlorophenyl)-3-hydroxypropanoic acid |
| InChI | InChI=1S/C9H9ClO3/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8,11H,5H2,(H,12,13) |
| InChI Key | NRRQHJBZRHOVAO-UHFFFAOYSA-N |
| MDL Number | MFCD16304917 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | O=C(O)CC(C1=CC=C(Cl)C=C1)O |
| Synonyms | 3-(4-chlorophenyl)-3-hydroxypropanoic acid,
25209-46-5,
SCHEMBL1503961,
AKOS011682733,
MCULE-2786363573,
NE32731,
Benzenepropanoic acid, 4-chloro-b-hydroxy-,
Z1357823957,
CID11390037,
3-(4-chlorophenyl)-3-hydroxy-propanoic Acid,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.618g/mol |
| Monoisotopic Mass | 200.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number