| CAS Number | 6083-00-7 |
| Catalog Number | AG01ELCH(AGN-PC-0NJC1Y) |
| Chemical Name | 2-hydroxy-3-iodo-5-methylbenzoic acid |
| IUPAC Name | 2-hydroxy-3-iodo-5-methylbenzoic acid |
| InChI | InChI=1S/C8H7IO3/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3,10H,1H3,(H,11,12) |
| InChI Key | NDSWWULHQGWUQT-UHFFFAOYSA-N |
| MDL Number | MFCD30585222 |
| Molecular Formula | C8H7IO3 |
| Molecular Weight | 278.0439 |
| SMILES | CC1=CC(C(O)=O)=C(O)C(I)=C1 |
| Synonyms | 2-Hydroxy-3-iodo-5-methylbenzoic acid,
6083-00-7,
CTK2E8967,
DTXSID20501807,
AKOS030588564,
Benzoic acid, 2-hydroxy-3-iodo-5-methyl-,
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| Complexity | 183 |
| 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 | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number