4-Hydroxy-3,3-dimethylbutan-2-one - CAS 1823-90-1
Catalog: |
BB072946 |
Product Name: |
4-Hydroxy-3,3-dimethylbutan-2-one |
CAS: |
1823-90-1 |
Synonyms: |
4-hydroxy-3,3-dimethylbutan-2-one; 4-hydroxy-3,3-dimethyl-2-butanone; 4-hydroxy-3,3-dimethyl-butan-2-one; 2-Butanone, 4-hydroxy-3,3-dimethyl- (6CI,7CI,8CI,9CI); 3,3-dimethyl-4-hydroxy-2-butanone; 2,2-dimethyl-1-hydroxy-butan-3-one |
IUPAC Name: | 4-hydroxy-3,3-dimethylbutan-2-one |
Molecular Weight: | 116.15 |
Molecular Formula: | C6H12O2 |
Canonical SMILES: | CC(=O)C(C)(C)CO |
InChI: | InChI=1S/C6H12O2/c1-5(8)6(2,3)4-7/h7H,4H2,1-3H3 |
InChI Key: | DYAWMXSWDGPGOI-UHFFFAOYSA-N |
Complexity: | 94.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 116.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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