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80876-59-1

80876-59-1 structural image
Product Name: L-Idaric-1,4-lactone
Formula: C6H8O7
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
Precautionary Statement Codes P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 192.12 g/mol
XLogP3 -1.8
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 2
Exact Mass 192.02700259 g/mol
Monoisotopic Mass 192.02700259 g/mol
Topological Polar Surface Area 124 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 237
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes