Isonicotinic acid N-oxide
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Isonicotinic acid N-oxide
structure -
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CAS No:
13602-12-5
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Formula:
C6H5NO3
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Chemical Name:
Isonicotinic acid N-oxide
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Synonyms:
4-Pyridinecarboxylic acid,1-oxide;Isonicotinic acid,1-oxide;Isonicotinic acid oxide;4-Carboxypyridine N-oxide;4-Pyridinecarboxylic acid oxide;Isonicotinic acid N-oxide;4-Pyridinecarboxylic acid N-oxide;NSC 63044;4-Carboxypyridine 1-oxide;1-Oxidopyridin-1-ium-4-carboxylic acid
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CAS No:
Description
white to beige or yellow crystalline powder
Isonicotinic acid N-oxide is a member of pyridines and an aromatic carboxylic acid.
Characteristics
62.8
0.81330
1.4429 (rough estimate)
270-271 °C
255.04°C (rough estimate)
237.4ºC
1.5423 (estimate)
0.08 M
2-8°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 (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 64 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:139.11
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:139.026943022
Monoisotopic Mass:139.026943022
Topological Polar Surface Area:62.8
Heavy Atom Count:10
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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