| CAS Number | 19039-15-7 |
| Catalog Number | AG00ADA7(AGN-PC-03GEIM) |
| Chemical Name | 2-(4-Hydroxy-3-iodophenyl)acetic acid |
| IUPAC Name | 2-(4-hydroxy-3-iodophenyl)acetic acid |
| InChI | InChI=1S/C8H7IO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12) |
| InChI Key | KIPADRQQDNIBER-UHFFFAOYSA-N |
| MDL Number | MFCD06656117 |
| Molecular Formula | C8H7IO3 |
| Molecular Weight | 278.0439 |
| SMILES | OC1=C(C=C(C=C1)CC(=O)O)I |
| Synonyms | 19039-15-7,
(4-Hydroxy-3-iodophenyl)acetic acid,
SCHEMBL8510463,
DTXSID70618636,
3-Iodo-4-hydroxyphenylacetic acid,
CI-612,
Benzeneacetic acid, 4-hydroxy-3-iodo-,
2-(4-HYDROXY-3-IODOPHENYL)ACETIC ACID,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.045g/mol |
| Monoisotopic Mass | 277.944g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number