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Home > Encyclopedia > Benzoic acid, 4-aMino-3-Mercapto-, ethyl ester

Benzoic acid, 4-aMino-3-Mercapto-, ethyl ester

Benzoic acid, 4-aMino-3-Mercapto-, ethyl ester structure

Benzoic acid, 4-aMino-3-Mercapto-, ethyl ester 

structure
  • CAS No:

    55439-71-9

  • Formula:

    C9H11NO2S

  • Chemical Name:

    Benzoic acid, 4-aMino-3-Mercapto-, ethyl ester

  • Synonyms:

    4-amino-3-mercapto-benzoic acid ethyl ester;SCHEMBL5044662;ethyl 4-amino-3-sulfanylbenzoate

Benzoic acid, 4-aMino-3-Mercapto-, ethyl ester Basic Attributes

197.25414

197.051

Characteristics

53.3

1.6

1.242±0.06 g/cm3(Predicted)

Computed Properties

Molecular Weight:197.26
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:197.05104977
Monoisotopic Mass:197.05104977
Topological Polar Surface Area:53.3
Heavy Atom Count:13
Complexity:187
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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