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Home > Encyclopedia > α-Oxobenzenebutanoic acid

α-Oxobenzenebutanoic acid

α-Oxobenzenebutanoic acid structure

α-Oxobenzenebutanoic acid 

structure
  • CAS No:

    710-11-2

  • Formula:

    C10H10O3

  • Chemical Name:

    α-Oxobenzenebutanoic acid

  • Synonyms:

    Benzenebutanoic acid,α-oxo-;Butyric acid,2-oxo-4-phenyl-;α-Oxobenzenebutanoic acid;Benzylpyruvic acid;2-Oxo-4-phenylbutanoic acid;2-Oxo-4-phenylbutyric acid;4-Phenyl-2-oxobutyric acid;4-Phenyl-2-oxobutanoic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

White flakepowder


2-Oxo-4-phenylbutyric acid is a member of benzenes.

α-Oxobenzenebutanoic acid Basic Attributes

178.18

178.18

211-916-7

DTXSID10221224

2918300090

Characteristics

54.4

1.6

White crystal

1.2±0.1 g/cm3

98 °C

314.4°C at 760 mmHg

158.1±18.6 °C

1.548

Safety Information

41

26-39

Xi

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:178.18
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:178.062994177
Monoisotopic Mass:178.062994177
Topological Polar Surface Area:54.4
Heavy Atom Count:13
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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