| CAS Number | 1273653-90-9 |
| Catalog Number | AG01DIXP(AGN-PC-03A4Y0) |
| Chemical Name | 7-Hydroxy-8-Methylchroman-4-One |
| IUPAC Name | 7-hydroxy-8-methyl-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C10H10O3/c1-6-8(11)3-2-7-9(12)4-5-13-10(6)7/h2-3,11H,4-5H2,1H3 |
| InChI Key | DHKWENBXENDGIV-UHFFFAOYSA-N |
| MDL Number | MFCD18648579 |
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.1846 |
| SMILES | O=C1CCOc2c1ccc(c2C)O |
| Synonyms | 7-Hydroxy-8-methylchroman-4-one,
1273653-90-9,
SCHEMBL12316602,
AKOS006373310,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.187g/mol |
| Monoisotopic Mass | 178.063g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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