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Home > Encyclopedia > Benzonitrile, 3-(hydroxymethyl)-5-methoxy- (9CI)

Benzonitrile, 3-(hydroxymethyl)-5-methoxy- (9CI)

Benzonitrile, 3-(hydroxymethyl)-5-methoxy- (9CI) structure

Benzonitrile, 3-(hydroxymethyl)-5-methoxy- (9CI) 

structure
  • CAS No:

    548785-58-6

  • Formula:

    C9H9NO2

  • Chemical Name:

    Benzonitrile, 3-(hydroxymethyl)-5-methoxy- (9CI)

  • Synonyms:

    3-(Hydroxymethyl)-5-methoxybenzonitrile;SCHEMBL4695771;3-Cyano-5-methoxybenzyl alcohol;ZINC39089505;3-hydroxymethyl-5-methoxy-benzonitrile;Benzonitrile, 3-(hydroxymethyl)-5-methoxy-

Benzonitrile, 3-(hydroxymethyl)-5-methoxy- (9CI) Basic Attributes

163.17326

163.063

Characteristics

53.2

0.7

1.19±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:163.17
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:163.063328530
Monoisotopic Mass:163.063328530
Topological Polar Surface Area:53.2
Heavy Atom Count:12
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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