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76784-95-7

76784-95-7 structural image
Product Name: (1α,2α,4α)-1,2,4-Cyclohexanetricarboxylic Acid
Formula: C9H12O6
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 216.19 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 216.06338810 g/mol
Monoisotopic Mass 216.06338810 g/mol
Topological Polar Surface Area 112 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 297
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes