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54557-81-2

54557-81-2 structural image
Product Name: 4-[3,4-(ETHYLENEDIOXY)PHENYL]-4-OXOBUTYRIC ACID
Formula: C12H12O5
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05
GHS Hazard Statements H314:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P363:Wash contaminated clothing before reuse.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 236.22 g/mol
XLogP3 0
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 236.06847348 g/mol
Monoisotopic Mass 236.06847348 g/mol
Topological Polar Surface Area 72.8 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 301
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