SODIUM 2-PROPYLHEXANOATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C9H17O2.Na
Molecular Weight	180.2198
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCCCC(CCC)C([O-])=O

InChI

InChIKey=CNEDBUVNEMXOEP-UHFFFAOYSA-M

InChI=1S/C9H18O2.Na/c1-3-5-7-8(6-4-2)9(10)11;/h8H,3-7H2,1-2H3,(H,10,11);/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	C9H17O2
Molecular Weight	157.2301
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:48:26 GMT 2023` Edited by `admin` on `Sat Dec 16 09:48:26 GMT 2023`
Record UNII	Y30C5984KN
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SODIUM 2-PROPYLHEXANOATE

Systematic Name

English

HEXANOIC ACID, 2-PROPYL-, SODIUM SALT (1:1)

Systematic Name

English

2-PROPYLCAPROIC ACID SODIUM SALT

Systematic Name

English

HEXANOIC ACID, 2-PROPYL-, SODIUM SALT

Common Name

English

SODIUM 2-PROPYLHEXANOATE, (±)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30964868

Created by admin on Sat Dec 16 09:48:26 GMT 2023 , Edited by admin on Sat Dec 16 09:48:26 GMT 2023

PRIMARY

PUBCHEM

23684806

Created by admin on Sat Dec 16 09:48:26 GMT 2023 , Edited by admin on Sat Dec 16 09:48:26 GMT 2023

PRIMARY

FDA UNII

Y30C5984KN

Created by admin on Sat Dec 16 09:48:26 GMT 2023 , Edited by admin on Sat Dec 16 09:48:26 GMT 2023

PRIMARY

CAS

50632-58-1

Created by admin on Sat Dec 16 09:48:26 GMT 2023 , Edited by admin on Sat Dec 16 09:48:26 GMT 2023

PRIMARY

Related Record Type Details


					L5671E148V

2-PROPYLHEXANOIC ACID

PARENT -> SALT/SOLVATE