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168286-98-4

168286-98-4 structural image
Product Name: 7-HYDROXY-2H-1-BENZOPYRAN-2-ONE GLUCURONIDE SODIUM SALT
Formula: C15H13NaO9
Synonyms: 7-Hydroxy-2H-1-benzopyran-2-one glucuronide sodium salt;Umbelliferone glucuronide sodium salt;Umbelliferyl β-D-glucuronide
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 360.25 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 3
Exact Mass 360.04572627 g/mol
Monoisotopic Mass 360.04572627 g/mol
Topological Polar Surface Area 146 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 539
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes