| CAS Number | 1261449-78-8 |
| Catalog Number | AG000RR9(AGN-PC-0WR2K7) |
| Chemical Name | 3-(2-Chloro-4-hydroxyphenyl)propanoic acid |
| IUPAC Name | 3-(2-chloro-4-hydroxyphenyl)propanoic acid |
| InChI | InChI=1S/C9H9ClO3/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1,3,5,11H,2,4H2,(H,12,13) |
| InChI Key | LOJJVRRZPPSJAH-UHFFFAOYSA-N |
| MDL Number | MFCD18393247 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | OC(CCC1=C(Cl)C=C(O)C=C1)=O |
| Synonyms | 1261449-78-8,
3-(2-Chloro-4-hydroxyphenyl)propanoic acid,
3-(2-Chloro-4-hydroxyphenyl)propionic acid,
Benzenepropanoic acid, 2-chloro-4-hydroxy-,
3-(2'-Chloro-4'-hydroxyphenyl)propionic acid,
SCHEMBL14793675,
MFCD18393247,
ZINC71463923,
AKOS022521415,
SC-49265,
FT-0753552,
2-chloro-4-hydroxyBenzenepropanoic 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