Molecular Weight:84.11642 [g/mol]
Molecular Formula:C5H8O
XLogP3:0.5
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:1
Tautomer Count:3
Exact Mass:84.057515
MonoIsotopic Mass:84.057515
Topological Polar Surface Area:17.1
Heavy Atom Count:6
Formal Charge:0
Complexity:72
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
Feature 3D Acceptor Count:1
Effective Rotor Count:1.6
Conformer Sampling RMSD:0.4
CID Conformer Count:6
Safety and Handling
【Hazard Codes】
F:Flammable
【Risk Statements】
R11
【Safety Statements 】
S16
【HazardClass】
3
【Safety】
Hazard Codes:F?
Risk Statements:11
11:Highly Flammable?
Safety Statements:9-16-29-33
9:Keep container in a well-ventilated place
16:Keep away from sources of ignition-No smoking
29:Do not empty into drains
33:Take precautionary measures against static discharges
RIDADR:UN 1224 3/PG 2
WGK Germany:3
RTECS:KM5648000
HazardClass:3
PackingGroup:II
A dangerous fire hazard when exposed to heat or flame. When heated to decomposition it emits acrid smoke and fumes.