| CAS Number | 74736-89-3 |
| Catalog Number | AG01DWN7 |
| Chemical Name | 3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one |
| IUPAC Name | 3-hydroxy-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C9H8O3/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-4,7,10H,5H2 |
| InChI Key | HWDVENVZFGMCRE-UHFFFAOYSA-N |
| MDL Number | MFCD18450992 |
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.158 |
| SMILES | OC1C(=O)C2=C(C=CC=C2)OC1 |
| Synonyms | 74736-89-3,
4H-1-Benzopyran-4-one, 2,3-dihydro-3-hydroxy-,
3-hydroxy-4-chromanone,
SCHEMBL68086,
2,3-Dihydro-3-hydroxy-4H-1-benzopyran-4-one,
3-HYDROXY-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-ONE,
3-hydroxychroman-4-one,
CID11286650,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.16g/mol |
| Monoisotopic Mass | 164.047g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number