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13846-13-4

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Basic Information
CAS No.: 13846-13-4
Name: Sodium o-aminobenzenesulfonate
Article Data: 5
Molecular Structure:
Molecular Structure of 13846-13-4 (Sodium o-aminobenzenesulfonate)
Formula: C6H7 N O3 S . Na
Molecular Weight: 195.174
Synonyms: Benzenesulfonicacid, 2-amino-, monosodium salt (9CI); Benzenesulfonic acid, o-amino-,monosodium salt (8CI); Orthanilic acid sodium salt; Sodium2-aminobenzenesulfonate; Sodium o-aminobenzenesulfonate; Sodium orthanilate
EINECS: 237-578-0
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
PSA: 91.60000
LogP: 1.83490
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Chemistry

Molecular Structure of Sodium orthanilate (CAS NO.13846-13-4):

IUPAC Name: Sodium 2-aminobenzenesulfonate 
Molecular Formula: C6H6NNaO3S
Molecular Weight: 195.17
EINECS: 237-578-0 
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 194.996608
MonoIsotopic Mass: 194.996608
Topological Polar Surface Area: 91.6
Heavy Atom Count: 12
Complexity: 223
Canonical SMILES: C1=CC=C(C(=C1)N)S(=O)(=O)[O-].[Na+]
InChI: InChI=1S/C6H7NO3S.Na/c7-5-3-1-2-4-6(5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);/q;+1/p-1
InChIKey: KYXOYPPMBYKBFL-UHFFFAOYSA-M

Specification

 Sodium orthanilate (CAS NO.13846-13-4), its Synonyms are Sodium o-aminobenzenesulphonate ; Benzenesulfonic acid,2-amino-, sodium salt (1:1) ; Benzenesulfonicacid, 2-amino-, monosodium salt (9CI) ; Benzenesulfonic acid, o-amino-,monosodium salt (8CI) ; Orthanilic acid sodium salt ; Sodium2-aminobenzenesulfonate ; 2-Amino-benzenesulfonic acid monosodium salt  .