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Home > Encyclopedia > 5-Cyano-2-methyl-benzoic acid

5-Cyano-2-methyl-benzoic acid

5-Cyano-2-methyl-benzoic acid structure

5-Cyano-2-methyl-benzoic acid 

structure
  • CAS No:

    1975-54-8

  • Formula:

    C9H7NO2

  • Chemical Name:

    5-Cyano-2-methyl-benzoic acid

  • Synonyms:

    5-Cyano-2-methyl-benzoic acid

5-Cyano-2-methyl-benzoic acid Basic Attributes

161

161.04800

-0

Characteristics

61.09000

1.56488

1.26±0.1 g/cm3(Predicted)

345.0±30.0 °C(Predicted)

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:161.16
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:61.1
Heavy Atom Count:12
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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