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Home > Encyclopedia > 1,2-Benzenedicarbonitrile, 4-(hydroxymethyl)- (9CI)

1,2-Benzenedicarbonitrile, 4-(hydroxymethyl)- (9CI)

1,2-Benzenedicarbonitrile, 4-(hydroxymethyl)- (9CI) structure

1,2-Benzenedicarbonitrile, 4-(hydroxymethyl)- (9CI) 

structure
  • CAS No:

    210037-82-4

  • Formula:

    C9H6N2O

  • Chemical Name:

    1,2-Benzenedicarbonitrile, 4-(hydroxymethyl)- (9CI)

  • Synonyms:

    4-Hydroxymethyl-phthalonitrile;SCHEMBL8156844;CTK8H5662;ZINC39063198;DA-08289;FT-0759773;4-(HYDROXYMETHYL)BENZENE-1,2-DICARBONITRILE

1,2-Benzenedicarbonitrile, 4-(hydroxymethyl)- (9CI) Basic Attributes

158.15674

158.048

Characteristics

67.8

0.5

1.27±0.1 g/cm3(Predicted)

70-72 °C

Computed Properties

Molecular Weight:158.16
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:158.048012819
Monoisotopic Mass:158.048012819
Topological Polar Surface Area:67.8
Heavy Atom Count:12
Complexity:244
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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