| CAS Number | 72250-01-2 |
| Catalog Number | AG00FHE6(AGN-PC-0WB63B) |
| Chemical Name | 3-hydroxytetrahydro-4H-pyran-4-one |
| IUPAC Name | 3-hydroxyoxan-4-one |
| InChI | InChI=1S/C5H8O3/c6-4-1-2-8-3-5(4)7/h5,7H,1-3H2 |
| InChI Key | AONISXKJRMECRD-UHFFFAOYSA-N |
| MDL Number | MFCD18157600 |
| Molecular Formula | C5H8O3 |
| Molecular Weight | 116.1152 |
| SMILES | C1(CCOCC1O)=O |
| Synonyms | 72250-01-2,
3-hydroxydihydro-2H-pyran-4(3H)-one,
3-Hydroxytetrahydropyran-4-one,
tetrahydro-3-hydroxy-4H-Pyran-4-one,
3-hydroxyoxan-4-one,
SCHEMBL3521660,
3-Hydroxytetrahydro-4H-pyran-4-one,
MFCD18157600,
AKOS030211361,
SB21870,
4H-Pyran-4-one, tetrahydro-3-hydroxy-,
BC600171,
DA-41566,
FT-0716315,
W-4795,
|
| Complexity | 99.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.116g/mol |
| Monoisotopic Mass | 116.047g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number