SODIUM 3,4-DIMETHYLPHENYLGLYOXYLATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H9O3.Na
Molecular Weight	200.1664
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 3,4-DIMETHYLPHENYLGLYOXYLATE

Structure Search

SMILES

[Na+].CC1=C(C)C=C(C=C1)C(=O)C([O-])=O

InChI

InChIKey=NONMFFAJXFTYER-UHFFFAOYSA-M

InChI=1S/C10H10O3.Na/c1-6-3-4-8(5-7(6)2)9(11)10(12)13;/h3-5H,1-2H3,(H,12,13);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C10H9O3
Molecular Weight	177.1767
Charge	-1
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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:05:12 UTC 2023` Edited by `admin` on `Fri Dec 15 16:05:12 UTC 2023`
Record UNII	25K35WQ32Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 3,4-DIMETHYLPHENYLGLYOXYLATE

Systematic Name

English

SODIUM 3,4-DIMETHYLPHENYL-GLYOXYLATE

Systematic Name

English

BENZENEACETIC ACID, 3,4-DIMETHYL-.ALPHA.-OXO-, SODIUM SALT

Common Name

English

BENZENEACETIC ACID, 3,4-DIMETHYL-.ALPHA.-OXO-, SODIUM SALT (1:1)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C851

Created by admin on Fri Dec 15 16:05:12 UTC 2023 , Edited by admin on Fri Dec 15 16:05:12 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C87224

Created by admin on Fri Dec 15 16:05:12 UTC 2023 , Edited by admin on Fri Dec 15 16:05:12 UTC 2023

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CAS

81632-85-1

Created by admin on Fri Dec 15 16:05:12 UTC 2023 , Edited by admin on Fri Dec 15 16:05:12 UTC 2023

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PUBCHEM

23664290

Created by admin on Fri Dec 15 16:05:12 UTC 2023 , Edited by admin on Fri Dec 15 16:05:12 UTC 2023

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EPA CompTox

DTXSID0057837

Created by admin on Fri Dec 15 16:05:12 UTC 2023 , Edited by admin on Fri Dec 15 16:05:12 UTC 2023

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FDA UNII

25K35WQ32Q

Created by admin on Fri Dec 15 16:05:12 UTC 2023 , Edited by admin on Fri Dec 15 16:05:12 UTC 2023

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