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Home > Encyclopedia > 1,2-Benzisothiazole-3-carboxylic acid

1,2-Benzisothiazole-3-carboxylic acid

1,2-Benzisothiazole-3-carboxylic acid structure

1,2-Benzisothiazole-3-carboxylic acid 

structure
  • CAS No:

    40991-34-2

  • Formula:

    C8H5NO2S

  • Chemical Name:

    1,2-Benzisothiazole-3-carboxylic acid

  • Synonyms:

    1,2-Benzisothiazole-3-carboxylic acid;3-Benzisothiazolecarboxylic acid;3-Carboxy-1,2-benzoisothiazole;Benzo[d]isothiazole-3-carboxylic acid;1,2-Benzothiazole-3-carboxylic acid

1,2-Benzisothiazole-3-carboxylic acid Basic Attributes

179.2

179.20

DTXSID10193992

2934999090

Characteristics

78.4

1.99450

1.508g/cm3

279.7ºC at 760 mmHg

122.9ºC

1.731

Safety Information

22

Xn

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:179.20
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:179.00409958
Monoisotopic Mass:179.00409958
Topological Polar Surface Area:78.4
Heavy Atom Count:12
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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