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Home > Encyclopedia > Benzenepropanoic acid, alpha-chloro-beta-oxo- (9CI)

Benzenepropanoic acid, alpha-chloro-beta-oxo- (9CI)

Benzenepropanoic acid, alpha-chloro-beta-oxo- (9CI) structure

Benzenepropanoic acid, alpha-chloro-beta-oxo- (9CI) 

structure
  • CAS No:

    312307-85-0

  • Formula:

    C9H7ClO3

  • Chemical Name:

    Benzenepropanoic acid, alpha-chloro-beta-oxo- (9CI)

  • Synonyms:

    2-CHLORO-3-OXO-3-PHENYLPROPANOIC ACID;ALPHA-CHLORO-BETA-OXO-BENZENEPROPANOIC ACID;SCHEMBL2861674;CTK4G6588;DTXSID10608455;Benzenepropanoic acid, a-chloro-b-oxo-

Benzenepropanoic acid, alpha-chloro-beta-oxo- (9CI) Basic Attributes

198.60308

198.008

DTXSID10608455

Characteristics

54.4

2

1.380±0.06 g/cm3(Predicted)

Computed Properties

Molecular Weight:198.60
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:198.0083718
Monoisotopic Mass:198.0083718
Topological Polar Surface Area:54.4
Heavy Atom Count:13
Complexity:209
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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