4-hydroxybutan-2-one


Chemical Name: 4-hydroxybutan-2-one
CAS Number: 590-90-9
Product Number: AG00341V(AGN-PC-0JLHYG)
Synonyms:
MDL No:
Molecular Formula: C4H8O2
Molecular Weight: 88.1051

Identification/Properties


Properties
MP:
15°C (estimate)
BP:
73-76°C at 12 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
1.430
Computed Properties
Molecular Weight:
88.106g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
88.052g/mol
Monoisotopic Mass:
88.052g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
49.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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


GHS Pictogram:
Signal Word:
Danger
UN#:
1993
Hazard Statements:
H226
Precautionary Statements:
P210-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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