| CAS Number | 133373-31-6 |
| Catalog Number | AG01ACYN(AGN-PC-0PJZMC) |
| Chemical Name | 3-(2-Chlorophenyl)-2-hydroxypropanoic acid |
| IUPAC Name | 3-(2-chlorophenyl)-2-hydroxypropanoic acid |
| InChI | InChI=1S/C9H9ClO3/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13) |
| InChI Key | VKBJHUQUYGMTJL-UHFFFAOYSA-N |
| MDL Number | MFCD11935787 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | OC(C(O)=O)CC1=C(Cl)C=CC=C1 |
| Synonyms | 3-(2-chlorophenyl)-2-hydroxypropanoic acid,
133373-31-6,
SCHEMBL6010363,
AKOS015150338,
NE41282,
3-(2-Chlorophenyl)-2-hydroxypropionic Acid,
|
| Complexity | 184 |
| 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