4-Propoxybenzoic acid
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4-Propoxybenzoic acid
structure -
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CAS No:
5438-19-7
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Formula:
C10H12O3
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Chemical Name:
4-Propoxybenzoic acid
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Synonyms:
Benzoic acid,4-propoxy-;Benzoic acid,p-propoxy-;4-Propoxybenzoic acid;p-Propoxybenzoic acid;p-(n-Propoxy)benzoic acid;NSC 16632;4-Propyloxybenzoic acid
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CAS No:
Characteristics
46.53000
3.02
White to light yellow crystal powder
1.1±0.1 g/cm3
144-146 °C
273.02°C (rough estimate)
119.3±13.9 °C
1.530
H2O: insoluble
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
24/25-25-24-37-26
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): 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 7 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:180.20
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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