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19780-90-6 | 2,4-HEXANEDIOL
CAS No: 19780-90-6 Catalog No: AG002B1Q MDL No:MFCD00046673
Product Description
Catalog Number:
AG002B1Q
Chemical Name:
2,4-HEXANEDIOL
CAS Number:
19780-90-6
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
MDL Number:
MFCD00046673
IUPAC Name:
hexane-2,4-diol
InChI:
InChI=1S/C6H14O2/c1-3-6(8)4-5(2)7/h5-8H,3-4H2,1-2H3
InChI Key:
TXGJTWACJNYNOJ-UHFFFAOYSA-N
SMILES:
CCC(CC(O)C)O
Properties
Complexity:
54.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.099g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
118.176g/mol
Monoisotopic Mass:
118.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Liquid chromatographic separation of darunavir enantiomers on coated and immobilized amylose tris(3, 5-dimethylphenylcarbamate) chiral stationary phases. | Chirality 20120801 |
| Dermal and pulmonary absorption of propan-1-ol and propan-2-ol from hand rubs. | American journal of infection control 20120401 |
| Structural insights into the specificity of Xyn10B from Paenibacillus barcinonensis and its improved stability by forced protein evolution. | The Journal of biological chemistry 20100122 |
| Combined molecular dynamics and continuum solvent studies of the pre-pore Cry4Aa trimer suggest its stability in solution and how it may form pore. | PMC biophysics 20100101 |
| Poisoning with 1-propanol and 2-propanol. | Human & experimental toxicology 20071201 |
| Hand-rubbing with an aqueous alcoholic solution vs traditional surgical hand-scrubbing and 30-day surgical site infection rates: a randomized equivalence study. | JAMA 20020814 |
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