3-Acetoxy-o-toluic acid
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3-Acetoxy-o-toluic acid
structure -
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CAS No:
168899-58-9
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Formula:
C10H10O4
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Chemical Name:
3-Acetoxy-o-toluic acid
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CAS No:
Characteristics
63.60000
1.95
White to yellow to brown Crystalline Powder or Powder
1.245±0.06 g/cm3(Predicted)
149-151 °C(lit.)
337.0±30.0 °C(Predicted)
134.1±18.1 °C
1.546
4.23E-05mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Acetoxy-o-toluic acid Use and Manufacturing
An intermediate in the preparation of small-sized HIV protease inhibitors
Computed Properties
Molecular Weight:194.18
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:194.05790880
Monoisotopic Mass:194.05790880
Topological Polar Surface Area:63.6
Heavy Atom Count:14
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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