| CAS Number | 151889-83-7 |
| Catalog Number | AG00ARYH(AGN-PC-02PBPH) |
| Chemical Name | 7-Hydroxy-4-(hydroxymethyl)-2H-chromen-2-one |
| IUPAC Name | 7-hydroxy-4-(hydroxymethyl)chromen-2-one |
| InChI | InChI=1S/C10H8O4/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4,11-12H,5H2 |
| InChI Key | IWPNSXBCZANXBC-UHFFFAOYSA-N |
| MDL Number | MFCD12137952 |
| Molecular Formula | C10H8O4 |
| Molecular Weight | 192.1681 |
| SMILES | OCC1C2=C(C=C(C=C2)O)OC(=O)C=1 |
| Synonyms | 7-hydroxy-4-(hydroxymethyl)-2H-chromen-2-one,
151889-83-7,
7 - hydroxy - 4 - (hydroxymethyl) - 2H - chromen - 2 - one,
AC1Q7BYY,
CHEMBL406541,
SCHEMBL4176874,
CTK8A2465,
ZINC29131748,
AKOS008135356,
MCULE-5933343784,
EN300-52436,
AB01004597-01,
J-008861,
2H-1-Benzopyran-2-one, 7-hydroxy-4-(hydroxymethyl)-,
Z802671594,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.17g/mol |
| Monoisotopic Mass | 192.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number