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113082-99-8

113082-99-8 structural image
Product Name: (5E)-Calcipotriene
Formula: C27H40O3
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H300:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 412.6 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 412.29774513 g/mol
Monoisotopic Mass 412.29774513 g/mol
Topological Polar Surface Area 60.7 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 743
Isotope Atom Count 0
Defined Atom Stereocenter Count 7
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes