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3-OXO-2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-6-CARBOXYLICACID1,1-DIOXIDE

3-OXO-2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-6-CARBOXYLICACID1,1-DIOXIDE structure

CAS No:
90779-46-7
Formula:
C8H5NO5S
Chemical Name:
3-OXO-2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-6-CARBOXYLICACID1,1-DIOXIDE
Synonyms:
NSC602923;1,1,3-Trioxo-2,3-dihydro-1H-1lambda*6*-benzo[d]isothiazole-6-carboxylic acid;3-oxo-2,3-dihydrobenzo[d]isothiazole-6-carboxylic acid 1,1-dioxide;1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid;3-Oxo-2,3-dihydro-1,2-benzisothiazole-6-carboxylic acid 1,1-dioxide;1,2-Benzisothiazole-6-carboxylicacid, 2,3-dihydro-3-oxo-, 1,1-dioxide;1,1,3-trioxo-2-hydrobenzo[d]isothiazole-6-carboxylic acid;6-carboxy-saccharin;C8H5NO5S;Oprea1_193475

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3-OXO-2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-6-CARBOXYLICACID1,1-DIOXIDE Basic Attributes

Molecular Weight：

227.19400

Exact Mass：

226.98900

NSC Number：

602923

DSSTox ID：

DTXSID20326592

HScode：

2934991000

Characteristics

PSA：

108.92000

XLogP3：

1.22650

Density：

1.745±0.06 g/cm3(Predicted)

Safety Information

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

GHS Classification：

|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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:227.20
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:226.98884343
Monoisotopic Mass:226.98884343
Topological Polar Surface Area:109
Heavy Atom Count:15
Complexity:409
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-OXO-2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-6-CARBOXYLICACID1,1-DIOXIDE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-OXO-2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-6-CARBOXYLICACID1,1-DIOXIDE

SDS

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