4-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate
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4-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate
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CAS No:
287118-97-2
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Formula:
C16H13NO7
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Chemical Name:
4-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate
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Synonyms:
Benzoic acid,2-(acetyloxy)-,4-[(nitrooxy)methyl]phenyl ester;4-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate;NO-aspirin;NCX 4040;2-(Acetyloxy)benzoic acid 4-(nitroxymethyl)phenyl ester
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CAS No:
Characteristics
108
3.06260
white to beige
1.347±0.06 g/cm3(Predicted)
84.6-86.0 °C
DMSO: soluble 15mg/mL (clear solution)
-20°C Freezer
Safety Information
UN 3077 9 / PGIII
3
41-43
26-36/37-39
Xi
P273-P280-P305 + P351 + P338
H317-H318-H400
4-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate Use and Manufacturing
A novel nitric oxide-releasing aspirin,
Computed Properties
Molecular Weight:331.28
XLogP3:2.9
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:331.06920175
Monoisotopic Mass:331.06920175
Topological Polar Surface Area:108
Heavy Atom Count:24
Complexity:454
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate
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