| CAS Number | 435297-35-1 |
| Catalog Number | AG01A0BN(AGN-PC-07XVKJ) |
| Chemical Name | 6-Hydroxy-4-methyl-2-oxo-2H-chromene-3-carboxylic acid |
| IUPAC Name | 6-hydroxy-4-methyl-2-oxochromene-3-carboxylic acid |
| InChI | InChI=1S/C11H8O5/c1-5-7-4-6(12)2-3-8(7)16-11(15)9(5)10(13)14/h2-4,12H,1H3,(H,13,14) |
| InChI Key | NAKYXMFBKWCPCQ-UHFFFAOYSA-N |
| MDL Number | MFCD09258886 |
| Molecular Formula | C11H8O5 |
| Molecular Weight | 220.1782 |
| SMILES | O=C(C(C1=O)=C(C)C2=C(O1)C=CC(O)=C2)O |
| Synonyms | 435297-35-1,
6-hydroxy-4-methyl-2-oxo-2H-chromene-3-carboxylic acid,
CTK1D4890,
DTXSID90675428,
ZINC36294205,
AKOS015958412,
MCULE-5835046515,
NE48660,
Z1431002681,
2H-1-Benzopyran-3-carboxylicacid, 6-hydroxy-4-methyl-2-oxo-,
4-Methyl-6-hydroxy-2-oxo-2H-1-benzopyran-3-carboxylic acid,
6-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid,
6-hydroxy-4-methyl-2-oxochromene-3-carboxylic acid,
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| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.18g/mol |
| Monoisotopic Mass | 220.037g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number