| CAS Number | 186639-32-7 |
| Catalog Number | AG00AD6J(AGN-PC-00OW3F) |
| Chemical Name | 6-Iodochroman-4-ol |
| IUPAC Name | 6-iodo-3,4-dihydro-2H-chromen-4-ol |
| InChI | InChI=1S/C9H9IO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,11H,3-4H2 |
| InChI Key | ANWPEHPJCBJNNI-UHFFFAOYSA-N |
| MDL Number | MFCD21295261 |
| Molecular Formula | C9H9IO2 |
| Molecular Weight | 276.0710 |
| SMILES | Ic1ccc2c(c1)C(O)CCO2 |
| Synonyms | 6-iodochroman-4-ol,
186639-32-7,
6-iodo-4-chromanol,
6-iodo-chroman-4-ol,
SCHEMBL3171013,
ANWPEHPJCBJNNI-UHFFFAOYSA-N,
6-Iodo-3,4-dihydro-2H-1-benzopyran-4-ol,
2H-1-Benzopyran-4-ol, 3,4-dihydro-6-iodo-,
C-0563,
6-iodochromen-4-ol,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.073g/mol |
| Monoisotopic Mass | 275.965g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number