| CAS Number | 14718-40-2 |
| Catalog Number | AG01DVCB(AGN-PC-00OJ9Y) |
| Chemical Name | 6-hydroxy-4-oxo-4H-chromene-2-carboxylic acid |
| IUPAC Name | 6-hydroxy-4-oxochromene-2-carboxylic acid |
| InChI | InChI=1S/C10H6O5/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-4,11H,(H,13,14) |
| InChI Key | UUJLPOSAJLERCK-UHFFFAOYSA-N |
| MDL Number | MFCD11877867 |
| Molecular Formula | C10H6O5 |
| Molecular Weight | 206.1516 |
| SMILES | OC(C1OC2=C(C=C(C=C2)O)C(=O)C=1)=O |
| Synonyms | 14718-40-2,
6-HYDROXY-4-OXO-4H-1-BENZOPYRAN-2-CARBOXYLIC ACID,
SCHEMBL2976354,
UUJLPOSAJLERCK-UHFFFAOYSA-N,
6hydroxychromone-2-carboxylic acid,
6-hydroxychromone-2-carboxylic acid,
MB10450,
2-carboxy-6-hydroxy-4-oxo-4H-1-benzopyran,
FT-0758452,
6-HYDROXY-4-OXO-4H-CHROMENE-2-CARBOXYLIC ACID,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.153g/mol |
| Monoisotopic Mass | 206.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number