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Reference substances

Reference substances

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General information

Inventory

EC number:
200-198-0
EC name:
Sodium salicylate
CAS number:
54-21-7

No inventory information available

Reference substance information

IUPAC name:
sodium 2-hydroxybenzoate
Synonyms
Names:
Benzoic acid, 2-hydroxy-, monosodium salt
Identifier:
CAS number
54-21-7
Identifier:
IUPAC name
Benzoic acid, 2-hydroxy-, monosodium salt
Identifier:
IUPAC name
sodium 2-hydroxybenzoate
Identifier:
other: InChl
1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
Identifier:
other: SMILES notation
C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Identifier:
other: Molecular formula
C7H5NaO3
Identifier:
other: Molecular formula
C7H6O3Na
Identifier:
other: InChl
InChI=1/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
Identifier:
other: InChl
InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
Identifier:
other: SMILES notation
[Na+].OC1=C(C=CC=C1)C([O-])=O
Identifier:
other: SMILES notation
c1(c(cccc1)O)C(=O)[O-].[Na+]
sodium salicylate

CAS information

CAS number:
54-21-7

Molecular and structural information

Molecular formula:
C7H6O3.Na
Molecular weight:
160.103
SMILES notation:
[Na+].Oc1ccccc1C(=O)[O-]
InChl:
1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
Structural formula:
Chemical structure