| CAS Number | 3343-53-1 |
| Catalog Number | AG007FDN(AGN-PC-0LTM3X) |
| Chemical Name | 1,4,5-Trihydroxypentan-2-one |
| IUPAC Name | 1,4,5-trihydroxypentan-2-one |
| InChI | InChI=1S/C5H10O4/c6-2-4(8)1-5(9)3-7/h4,6-8H,1-3H2 |
| InChI Key | KKLZOXZZESQNKR-UHFFFAOYSA-N |
| MDL Number | MFCD18643027 |
| Molecular Formula | C5H10O4 |
| Molecular Weight | 134.1305 |
| SMILES | OCC(CC(=O)CO)O |
| Synonyms | 3-Deoxypentulose,
1,4,5-trihydroxypentan-2-one,
2-Pentanone, 1,4,5-trihydroxy-,
3343-53-1,
W-202367,
AC1O53L9,
SCHEMBL12871589,
CTK1C3236,
FCH908876,
AKOS006372786,
K-7709,
C5-H10-O4,
CID6451547,
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| Complexity | 91 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.131g/mol |
| Monoisotopic Mass | 134.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number