(2R,4R)-Pentane-2,4-diol


Chemical Name: (2R,4R)-Pentane-2,4-diol
CAS Number: 42075-32-1
Product Number: AG003BOG(AGN-PC-0WAIVZ)
Synonyms:
MDL No:
Molecular Formula: C5H12O2
Molecular Weight: 104.1476

Identification/Properties


Properties
MP:
48-50 °C(lit.)
BP:
174.021°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
-53.5 ° (C=10, EtOH)
Computed Properties
Molecular Weight:
104.149g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
104.084g/mol
Monoisotopic Mass:
104.084g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
39.3
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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