Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29145000
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:180.20048 [g/mol]
Molecular Formula:C10H12O3
XLogP3:1.8
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:180.078644
MonoIsotopic Mass:180.078644
Topological Polar Surface Area:35.5
Heavy Atom Count:13
Formal Charge:0
Complexity:179
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:3
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:12
Safety and Handling
【Hazard Codes】
Xi: Irritant;
【Safety Statements 】
S24/25
【Safety】
Hazard Codes: Xi
Safety Statements: 24/25 (24/25: Avoid contact with skin and eyes)
WGK Germany: 3
HS Code: 29145000