| CAS Number | 79669-18-4 |
| Catalog Number | AG00G9W4(AGN-PC-0E5IDN) |
| Chemical Name | 3-(3-Chloro-4-hydroxyphenyl)propanoic acid |
| IUPAC Name | 3-(3-chloro-4-hydroxyphenyl)propanoic acid |
| InChI | InChI=1S/C9H9ClO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1,3,5,11H,2,4H2,(H,12,13) |
| InChI Key | WCFMGDDKGCCBRK-UHFFFAOYSA-N |
| MDL Number | MFCD16075091 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | OC(CCC1=CC(Cl)=C(O)C=C1)=O |
| Synonyms | 3-(3-chloro-4-hydroxyphenyl)propanoic acid,
79669-18-4,
SCHEMBL3336314,
MFCD16075091,
ZINC43476834,
AKOS010949299,
MCULE-4283987039,
NE40222,
3-(3'-Chloro-4'-hydroxyphenyl)propionic acid,
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| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number