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878742-28-0

878742-28-0 structural image
Product Name: 3-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID
Formula: C12H12O3
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 204.22 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 204.078644241 g/mol
Monoisotopic Mass 204.078644241 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 305
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