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6093-71-6

6093-71-6 structural image
Product Name: 3-CARBETHOXYUMBELIFERONE
Formula: C12H10O5
Synonyms: 3-Carbethoxy-7-hydroxycoumarin;7-hydroxy-2-oxo-2H-1-benzopyran-3-carboxylic acid ethyl ester
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.

COMPUTED DESCRIPTORS

Molecular Weight 234.20 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 234.05282342 g/mol
Monoisotopic Mass 234.05282342 g/mol
Topological Polar Surface Area 72.8 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 360
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