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128719-90-4

128719-90-4 structural image
Product Name: 7-[(1S,2R,3R,4R)-3-[(1E,3R)-3-HYDROXY-4-(4-IODOPHENOXY)-1-BUTENYL]-7-OXABICYCLO[2.2.1]HEPT-2-YL]-5Z-HEPTENOIC ACID
Formula: C23H29IO5
Synonyms: (5Z)-7-[(1S,2R,3R,4R)-3-[(1E,3R)-3-Hydroxy-4-(4-iodophenoxy)-1-buten-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl]-5-heptenoic acid
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 512.4 g/mol
XLogP3 4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 11
Exact Mass 512.10597 g/mol
Monoisotopic Mass 512.10597 g/mol
Topological Polar Surface Area 76 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 570
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes