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93772-31-7

93772-31-7 structural image
Product Name: neo-gambogic acid
Formula: C38H46O9
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P405:Store locked up.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 646.8 g/mol
XLogP3 6.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 8
Exact Mass 646.31418304 g/mol
Monoisotopic Mass 646.31418304 g/mol
Topological Polar Surface Area 140 Ų
Heavy Atom Count 47
Formal Charge 0
Complexity 1480
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 6
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes