| CAS Number | 38895-88-4 |
| Catalog Number | AG00D3W0(AGN-PC-0MWA8O) |
| Chemical Name | 2-Butanone, 1-hydroxy-3,3-dimethyl- |
| IUPAC Name | 1-hydroxy-3,3-dimethylbutan-2-one |
| InChI | InChI=1S/C6H12O2/c1-6(2,3)5(8)4-7/h7H,4H2,1-3H3 |
| InChI Key | FFNOWYSCJOKVCL-UHFFFAOYSA-N |
| MDL Number | MFCD08067721 |
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.1583 |
| SMILES | C(=O)(C(C)(C)C)CO |
| Synonyms | 1-hydroxy-3,3-dimethylbutan-2-one,
38895-88-4,
1-Hydroxy-3,3-dimethyl-2-butanone,
hydroxy-pinacolone,
SCHEMBL17926,
CTK1B4547,
DTXSID10433300,
FFNOWYSCJOKVCL-UHFFFAOYSA-N,
AKOS011305892,
ZINC100053827,
2-Butanone, 1-hydroxy-3,3-dimethyl-,
1-hydroxy-3,3-dimethyl-butan-2-one,
CID9955836,
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| Complexity | 89.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.16g/mol |
| Monoisotopic Mass | 116.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number