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5612-67-9

5612-67-9 structural image
Product Name: 2-methyl-3-furaldehyde
Formula: C6H6O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 931 936

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 110.11 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 110.036779430 g/mol
Monoisotopic Mass 110.036779430 g/mol
Topological Polar Surface Area 30.2 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 90.5
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