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Home > Encyclopedia > 4-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate

4-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate

4-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate structure

4-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate 

structure
  • CAS No:

    287118-97-2

  • Formula:

    C16H13NO7

  • Chemical Name:

    4-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate

  • 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

  • Categories:

    Organic Chemistry  >  Nitro Compounds

Description

Pale Yellow Solid

4-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate Basic Attributes

331.28

331.28

DTXSID60431311

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

Drug Information

NCX 4040

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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