| CAS Number | 682804-97-3 |
| Catalog Number | AG00FGV8(AGN-PC-0WCYBD) |
| Chemical Name | 3-(2-Chloro-4-hydroxy-phenyl)-acrylic acid |
| IUPAC Name | (E)-3-(2-chloro-4-hydroxyphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C9H7ClO3/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1-5,11H,(H,12,13)/b4-2+ |
| InChI Key | PMPIDLFVGUWKOT-DUXPYHPUSA-N |
| MDL Number | MFCD02669929 |
| Molecular Formula | C9H7ClO3 |
| Molecular Weight | 198.6031 |
| SMILES | OC(=O)C=Cc1ccc(cc1Cl)O |
| Synonyms | 2-Chloro-4-hydroxycinnamicacid,
682804-97-3,
3-(2-CHLORO-4-HYDROXY-PHENYL)-ACRYLIC ACID,
927438-48-0,
SCHEMBL4265141,
SCHEMBL4265145,
ZINC2582765,
FCH846353,
MFCD02669929,
AKOS006276625,
FCH3608293,
AK205686,
SC-41438,
CS-0060417,
3-(2-Chloro-4-hydroxyphenyl)acrylic acid,
ACN-048909,
(E)-3-(2-chloro-4-hydroxyphenyl)prop-2-enoic acid,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 198.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.602g/mol |
| Monoisotopic Mass | 198.008g/mol |
| Rotatable Bond Count | 2 |
| 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