| CAS Number | 42137-04-2 |
| Catalog Number | AG0073MR(AGN-PC-0NEWDL) |
| Chemical Name | 5-hydroxy-5-methylhexan-2-one |
| IUPAC Name | 5-hydroxy-5-methylhexan-2-one |
| InChI | InChI=1S/C7H14O2/c1-6(8)4-5-7(2,3)9/h9H,4-5H2,1-3H3 |
| InChI Key | GNNBSAPGFGNCCT-UHFFFAOYSA-N |
| MDL Number | MFCD21923299 |
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.1849 |
| SMILES | CC(CCC(O)(C)C)=O |
| Synonyms | 5-hydroxy-5-methylhexan-2-one,
42137-04-2,
5-Hydroxy-5-methyl-2-hexanone,
2-Hexanone, 5-hydroxy-5-methyl-,
SCHEMBL3174218,
CTK1D3412,
DTXSID20452885,
GNNBSAPGFGNCCT-UHFFFAOYSA-N,
ZINC84327340,
AKOS017977847,
5-hydroxy-5-methyl-hexan-2-one,
CID11040732,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.187g/mol |
| Monoisotopic Mass | 130.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number