SODIUM 4-METHYL-2-OXOVALERATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H9O3.Na
Molecular Weight	152.1236
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 4-METHYL-2-OXOVALERATE

Structure Search

SMILES

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

InChI

InChIKey=IXFAZKRLPPMQEO-UHFFFAOYSA-M

InChI=1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1

HIDE SMILES / InChI

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	C6H9O3
Molecular Weight	129.1339
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 06:52:38 UTC 2023` Edited by `admin` on `Sat Dec 16 06:52:38 UTC 2023`
Record UNII	815X976CPY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 4-METHYL-2-OXOVALERATE

Systematic Name

English

SODIUM 4-METHYL-2-OXOPENTANOATE

Systematic Name

English

PENTANOIC ACID, 4-METHYL-2-OXO-, SODIUM SALT (1:1)

Common Name

English

Code System Code Type Description

CAS

4502-00-5

Created by admin on Sat Dec 16 06:52:38 UTC 2023 , Edited by admin on Sat Dec 16 06:52:38 UTC 2023

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EPA CompTox

DTXSID70196363

Created by admin on Sat Dec 16 06:52:38 UTC 2023 , Edited by admin on Sat Dec 16 06:52:38 UTC 2023

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ECHA (EC/EINECS)

224-816-3

Created by admin on Sat Dec 16 06:52:38 UTC 2023 , Edited by admin on Sat Dec 16 06:52:38 UTC 2023

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PUBCHEM

4137900

Created by admin on Sat Dec 16 06:52:38 UTC 2023 , Edited by admin on Sat Dec 16 06:52:38 UTC 2023

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JECFA MONOGRAPH

1470

Created by admin on Sat Dec 16 06:52:38 UTC 2023 , Edited by admin on Sat Dec 16 06:52:38 UTC 2023

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FDA UNII

815X976CPY

Created by admin on Sat Dec 16 06:52:38 UTC 2023 , Edited by admin on Sat Dec 16 06:52:38 UTC 2023

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