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Home > Encyclopedia > Benzoic acid, 4-isocyano-, methyl ester (9CI)

Benzoic acid, 4-isocyano-, methyl ester (9CI)

Benzoic acid, 4-isocyano-, methyl ester (9CI) structure

Benzoic acid, 4-isocyano-, methyl ester (9CI) 

structure
  • CAS No:

    198476-21-0

  • Formula:

    C9H7NO2

  • Chemical Name:

    Benzoic acid, 4-isocyano-, methyl ester (9CI)

  • Synonyms:

    Methyl 4-isocyanobenzoate;198476-21-0;Methyl-4-isocyanobenzoate;SCHEMBL999008;BENZOIC ACID, 4-ISOCYANO-, METHYL ESTER (9CI);CTK6I9842;4-Isocyanobenzoic acid methyl ester;ZINC95697939;AKOS006293686;Methyl 4-isocyanobenzoate, AldrichCPR

Benzoic acid, 4-isocyano-, methyl ester (9CI) Basic Attributes

161.15738

161.048

Characteristics

30.7

2

Computed Properties

Molecular Weight:161.16
XLogP3:2
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:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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