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
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 .
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