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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7O3.Na.H2O
Molecular Weight 192.1444
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM PHENOXYACETATE MONOHYDRATE

SMILES

O.[Na+].[O-]C(=O)COC1=CC=CC=C1

InChI

InChIKey=MEQSSBKFRRPKBI-UHFFFAOYSA-M
InChI=1S/C8H8O3.Na.H2O/c9-8(10)6-11-7-4-2-1-3-5-7;;/h1-5H,6H2,(H,9,10);;1H2/q;+1;/p-1

HIDE SMILES / InChI

Molecular Formula C8H8O3
Molecular Weight 152.1473
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:09:28 UTC 2023
Edited
by admin
on Sat Dec 16 07:09:28 UTC 2023
Record UNII
2LC66O3HWF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM PHENOXYACETATE MONOHYDRATE
Systematic Name English
ACETIC ACID, 2-PHENOXY-, SODIUM SALT, HYDRATE (1:1:1)
Systematic Name English
ACETIC ACID, PHENOXY-, SODIUM SALT, MONOHYDRATE
Common Name English
Code System Code Type Description
CAS
313222-85-4
Created by admin on Sat Dec 16 07:09:28 UTC 2023 , Edited by admin on Sat Dec 16 07:09:28 UTC 2023
PRIMARY
FDA UNII
2LC66O3HWF
Created by admin on Sat Dec 16 07:09:28 UTC 2023 , Edited by admin on Sat Dec 16 07:09:28 UTC 2023
PRIMARY
PUBCHEM
23680489
Created by admin on Sat Dec 16 07:09:28 UTC 2023 , Edited by admin on Sat Dec 16 07:09:28 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE