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Home > Encyclopedia > 2-(ACETYLOXY)BENZOIC ACID 3-(HYDROXYMETHYL)PHENYL ESTER

2-(ACETYLOXY)BENZOIC ACID 3-(HYDROXYMETHYL)PHENYL ESTER

2-(ACETYLOXY)BENZOIC ACID 3-(HYDROXYMETHYL)PHENYL ESTER structure

2-(ACETYLOXY)BENZOIC ACID 3-(HYDROXYMETHYL)PHENYL ESTER 

structure
  • CAS No:

    287118-98-3

  • Formula:

    C16H14O5

  • Chemical Name:

    2-(ACETYLOXY)BENZOIC ACID 3-(HYDROXYMETHYL)PHENYL ESTER

  • Synonyms:

    2-(ACETYLOXY)BENZOIC ACID 3-(HYDROXYMETHYL)PHENYL ESTER;3-(HYDROXYMETHYL)PHENYL 2-ACETOXYBENZOATE;Benzoic acid, 2-(acetyloxy)-, 3-(hydroxymethyl)phenyl ester;[3-(hydroxymethyl)phenyl] 2-acetyloxybenzoate;3-(HYDROXYMETHYL)PHENYL 2-(ACETYLOXY)BENZOATE;CHEMBL227595;SCHEMBL2547980;CTK0I5080;DTXSID60430849;ZINC22047519

Description

White Solid

2-(ACETYLOXY)BENZOIC ACID 3-(HYDROXYMETHYL)PHENYL ESTER Basic Attributes

286.27936

286.084

DTXSID60430849

Characteristics

72.8

2

White Solid

1.276±0.06 g/cm3(Predicted)

77-79°C

473.494ºC at 760 mmHg

176.601ºC

1.59

0mmHg at 25°C

2-(ACETYLOXY)BENZOIC ACID 3-(HYDROXYMETHYL)PHENYL ESTER Use and Manufacturing

Intermediate in the preparation of Nitroaspirin (NCX 4016)

Computed Properties

Molecular Weight:286.28
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:286.08412354
Monoisotopic Mass:286.08412354
Topological Polar Surface Area:72.8
Heavy Atom Count:21
Complexity:368
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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