3-Hydroxy-2-hexanone - CAS 54123-75-0
Catalog: |
BB044030 |
Product Name: |
3-Hydroxy-2-hexanone |
CAS: |
54123-75-0 |
Synonyms: |
2-Hexanone, 3-hydroxy-; 2-hexanon-3-ol |
IUPAC Name: | 3-hydroxyhexan-2-one |
Description: | 3-Hydroxy-2-hexanone (CAS# 54123-75-0 ) is a useful research chemical. |
Molecular Weight: | 116.16 |
Molecular Formula: | C6H12O2 |
Canonical SMILES: | CCCC(C(=O)C)O |
InChI: | InChI=1S/C6H12O2/c1-3-4-6(8)5(2)7/h6,8H,3-4H2,1-2H3 |
InChI Key: | UHSBCAJZDUQTHH-UHFFFAOYSA-N |
Boiling Point: | 163.5 ℃ at 760 mmHg |
Density: | 0.947 g/cm3 |
Complexity: | 78.6 |
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: | 3 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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