| CAS Number | 22639-17-4 |
| Catalog Number | AG01C225(AGN-PC-0N5P0D) |
| Chemical Name | 3-hydroxy-2-(hydroxymethyl)-6-methyl-4H-pyran-4-one |
| IUPAC Name | 3-hydroxy-2-(hydroxymethyl)-6-methylpyran-4-one |
| InChI | InChI=1S/C7H8O4/c1-4-2-5(9)7(10)6(3-8)11-4/h2,8,10H,3H2,1H3 |
| InChI Key | NRHSKONRJVZHAX-UHFFFAOYSA-N |
| MDL Number | MFCD16658699 |
| Molecular Formula | C7H8O4 |
| Molecular Weight | 156.1360 |
| SMILES | CC1OC(CO)=C(O)C(=O)C=1 |
| Synonyms | 22639-17-4,
3-hydroxy-2-(hydroxymethyl)-6-methyl-4H-pyran-4-one,
2-hydroxymethyl-3-hydroxy-6-methyl-pyran-4(1H)-one,
CHEMBL450431,
SCHEMBL2120661,
SCHEMBL5165937,
NRHSKONRJVZHAX-UHFFFAOYSA-N,
ZINC38973032,
AKOS022191518,
2-hydroxymethyl-3-hydroxy-6-methyl-4-pyrone,
6-Hydroxymethyl-5-hydroxy-2-methyl-4-pyrone,
2-hydroxymethyl-3-hydroxy-6-methyl-pyran-4 (1H)-one,
4H-Pyran-4-one, 3-hydroxy-2-(hydroxymethyl)-6-methyl-,
Z2785965515,
CID10511097,
3-hydroxy-2-(hydroxymethyl)-6-methyl-pyran-4-one,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.137g/mol |
| Monoisotopic Mass | 156.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number