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sodium gallate(CAS No. 2053-21-6)

sodium gallate C7H5NaO5 (cas 2053-21-6) Molecular Structure

2053-21-6 Structure

Identification and Related Records

【Name】
sodium gallate
【Iupac name】
sodium 3,4,5-trihydroxybenzoate
【CAS Registry number】
2053-21-6
【Synonyms】
Benzoic acid, 3,4,5-trihydroxy-, sodium salt (1:1)
Sodium gallate
Benzoic acid, 3,4,5-trihydroxy-, monosodium salt
sodium 3,4,5-trihydroxybenzoate
【EINECS(EC#)】
218-148-1
【Molecular Formula】
C7H5NaO5 (Products with the same molecular formula)
【Molecular Weight】
192.1014
【Inchi】
InChI=1/C7H6O5.Na/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);/q;+1/p-1
【Canonical SMILES】
C1=C(C=C(C(=C1O)O)O)C(=O)[O-].[Na+]
【MOL File】
2053-21-6.mol

Chemical and Physical Properties

【Boiling Point】
501.1°C at 760 mmHg
【Vapour】
7.32E-11mmHg at 25°C
【Flash Point】
271°C
【Computed Properties】
Molecular Weight:192.10137 [g/mol]
Molecular Formula:C7H5NaO5
H-Bond Donor:3
H-Bond Acceptor:5
Rotatable Bond Count:1
Tautomer Count:14
Exact Mass:192.003468
MonoIsotopic Mass:192.003468
Topological Polar Surface Area:101
Heavy Atom Count:13
Formal Charge:0
Complexity:174
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

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