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Home > Encyclopedia > 3-Acetylbenzoic acid

3-Acetylbenzoic acid

3-Acetylbenzoic acid structure

3-Acetylbenzoic acid 

structure
  • CAS No:

    586-42-5

  • Formula:

    C9H8O3

  • Chemical Name:

    3-Acetylbenzoic acid

  • Synonyms:

    Benzoic acid,3-acetyl-;Benzoic acid,m-acetyl-;3-Acetylbenzoic acid;3′-Carboxyacetophenone;m-Acetylbenzoic acid;m-Carboxyacetophenone;3-(1-Oxoethyl)benzoic acid;NSC 2932

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

white to light brown crystalline powder

3-Acetylbenzoic acid Basic Attributes

164.16

164.16

2932

DTXSID40277572

2918300090

Characteristics

54.4

1.6

White to light brown Crystalline Powder

1.2±0.1 g/cm3

170-173 °C @ Solvent: Methylcyclohexane

342.8°C at 760 mmHg

175.3±19.7 °C

1.561

Safety Information

IRRITANT

NONH for all modes of transport

3

36/37/38

37/39-26-36-24/25

Xi

Irritant

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 9 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:164.16
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:164.047344113
Monoisotopic Mass:164.047344113
Topological Polar Surface Area:54.4
Heavy Atom Count:12
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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