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Home > Encyclopedia > 3-Isoquinolinecarboxylic acid, ethyl ester

3-Isoquinolinecarboxylic acid, ethyl ester

3-Isoquinolinecarboxylic acid, ethyl ester structure

3-Isoquinolinecarboxylic acid, ethyl ester 

structure
  • CAS No:

    50458-79-2

  • Formula:

    C12H11NO2

  • Chemical Name:

    3-Isoquinolinecarboxylic acid, ethyl ester

  • Synonyms:

    3-Isoquinolinecarboxylic acid,ethyl ester;Ethyl 3-isoquinolinecarboxylate

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

3-Isoquinolinecarboxylic acid, ethyl ester Basic Attributes

201.22

201.22

DTXSID30465764

2933499090

Characteristics

39.2

2.7

1.176g/cm3

40-46 °C

165-170 °C @ Press: 2 Torr

168.813ºC

1.6

Safety Information

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, 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:201.22
XLogP3:2.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:201.078978594
Monoisotopic Mass:201.078978594
Topological Polar Surface Area:39.2
Heavy Atom Count:15
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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