| CAS Number | 1250810-15-1 |
| Catalog Number | AG019T86 |
| Chemical Name | 3-(3,5-Dichlorophenyl)-3-hydroxypropanoic acid |
| IUPAC Name | 3-(3,5-dichlorophenyl)-3-hydroxypropanoic acid |
| InChI | InChI=1S/C9H8Cl2O3/c10-6-1-5(2-7(11)3-6)8(12)4-9(13)14/h1-3,8,12H,4H2,(H,13,14) |
| InChI Key | UAOVLUFVXKIGKW-UHFFFAOYSA-N |
| MDL Number | MFCD16749162 |
| Molecular Formula | C9H8Cl2O3 |
| Molecular Weight | 235.0640 |
| SMILES | OC(C1=CC(Cl)=CC(Cl)=C1)CC(O)=O |
| Synonyms | 3-(3,5-dichlorophenyl)-3-hydroxypropanoic acid,
1250810-15-1,
SCHEMBL8771026,
AKOS008151898,
MCULE-6593187200,
NE25641,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.06g/mol |
| Monoisotopic Mass | 233.985g/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