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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4NO4.Na
Molecular Weight 189.1007
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 3-NITROBENZOATE

SMILES

[Na+].[O-]C(=O)C1=CC(=CC=C1)[N+]([O-])=O

InChI

InChIKey=MUADFEZFSKAZLT-UHFFFAOYSA-M
InChI=1S/C7H5NO4.Na/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H4NO4
Molecular Weight 166.111
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
I1EQ837B3J
Record Status Validated (UNII)
Record Version