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Home > Encyclopedia > Benzoic acid, 3-isocyano-, methyl ester (9CI)

Benzoic acid, 3-isocyano-, methyl ester (9CI)

Benzoic acid, 3-isocyano-, methyl ester (9CI) structure

Benzoic acid, 3-isocyano-, methyl ester (9CI) 

structure
  • CAS No:

    198476-30-1

  • Formula:

    C9H7NO2

  • Chemical Name:

    Benzoic acid, 3-isocyano-, methyl ester (9CI)

  • Synonyms:

    Methyl 3-isocyanobenzoate;Methyl-3-isocyanobenzoate;SCHEMBL2268878;CTK6J0437;ZINC95697940;AKOS006294666;methyl-3-isocyanobenzoate, AldrichCPR

Benzoic acid, 3-isocyano-, methyl ester (9CI) Basic Attributes

161.15738

161.048

Characteristics

30.7

1.8

Computed Properties

Molecular Weight:161.16
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:30.7
Heavy Atom Count:12
Complexity:216
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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