| CAS Number | 22621-30-3 |
| Catalog Number | AG019EOH(AGN-PC-0ABS52) |
| Chemical Name | 4-Hydroxy-5,5-dimethylfuran-2(5H)-one |
| IUPAC Name | 4-hydroxy-5,5-dimethylfuran-2-one |
| InChI | InChI=1S/C6H8O3/c1-6(2)4(7)3-5(8)9-6/h3,7H,1-2H3 |
| InChI Key | DQOQTAIZIDYCLB-UHFFFAOYSA-N |
| MDL Number | MFCD27947705 |
| Molecular Formula | C6H8O3 |
| Molecular Weight | 128.1259 |
| SMILES | CC1(C)OC(=O)C=C1O |
| Synonyms | 4-Hydroxy-5,5-dimethylfuran-2(5H)-one,
22621-30-3,
4-Hydroxy-5,5-dimethyl-2(5H)-furanone,
2(5H)-Furanone, 4-hydroxy-5,5-dimethyl-,
5,5-dimethyltetronic acid,
SCHEMBL5316374,
DQOQTAIZIDYCLB-UHFFFAOYSA-N,
MFCD27947705,
AKOS030524480,
4-hydroxy-5,5-dimethyl-5H-furan-2-one,
5-hydroxy-methyl-2-methyl-3(2h)-furanon,
4-hydroxy-5, 5-dimethyl-5H-furan-2-one,
CS-0062233,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.127g/mol |
| Monoisotopic Mass | 128.047g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number