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Home > Encyclopedia > 1-Cyanocyclobutanecarboxylic acid

1-Cyanocyclobutanecarboxylic acid

1-Cyanocyclobutanecarboxylic acid structure

1-Cyanocyclobutanecarboxylic acid 

structure
  • CAS No:

    30491-91-9

  • Formula:

    C6H7NO2

  • Chemical Name:

    1-Cyanocyclobutanecarboxylic acid

  • Synonyms:

    Cyclobutanecarboxylic acid,1-cyano-;1-Cyanocyclobutanecarboxylic acid;1-Cyanocyclobutane-1-carboxylic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

1-Cyanocyclobutanecarboxylic acid Basic Attributes

125.12500

125.13

DTXSID00615759

2926909090

Characteristics

61.09000

0.76488

1.27g/cm3

68-69ºC

324.3ºC at 760 mmHg

150ºC

1.51

Safety Information

26-45

T

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, P501

H302

|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:125.13
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:125.047678466
Monoisotopic Mass:125.047678466
Topological Polar Surface Area:61.1
Heavy Atom Count:9
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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