| CAS Number | 207511-19-1 |
| Catalog Number | AG002J3W(AGN-PC-00UNFK) |
| Chemical Name | 6-Methyl-4H-chromen-4-one hydrate |
| IUPAC Name | 6-methylchromen-4-one;hydrate |
| InChI | InChI=1S/C10H8O2.H2O/c1-7-2-3-10-8(6-7)9(11)4-5-12-10;/h2-6H,1H3;1H2 |
| InChI Key | QWIQUUMSUBFRAX-UHFFFAOYSA-N |
| MDL Number | MFCD00218598 |
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.1846 |
| SMILES | Cc1ccc2c(c1)c(=O)cco2.O |
| Synonyms | 6-Methylchromone hydrate,
207511-19-1,
6-Methyl-4H-chromen-4-one hydrate,
314041-54-8,
6-Methylchromone hydrate, 98%,
6-Methylchromone hydrate, 99%,
C10H8O2.H2O,
CTK4E5014,
DTXSID30583679,
6016AH,
MFCD00209598,
AKOS027320235,
ACM207511191,
K-6011,
6-Methyl-4H-1-benzopyran-4-one--water (1/1),
4H-1-Benzopyran-4-one, 6-methyl-, hydrate (1:),
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| 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 | 27.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number