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462068-46-8

462068-46-8 structural image
Product Name: 4-OXO-4-(3-OXO-3,4-DIHYDRO-2H-QUINOXALIN-1-YL)-BUTYRIC ACID
Formula: C12H12N2O4
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 248.23 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 248.07970687 g/mol
Monoisotopic Mass 248.07970687 g/mol
Topological Polar Surface Area 86.7 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 369
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