Sodium 2-cyclohexylphenolate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H15O.Na
Molecular Weight	198.2367
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Sodium 2-cyclohexylphenolate

Structure Search

SMILES

[Na+].[O-]C1=CC=CC=C1C2CCCCC2

InChI

InChIKey=YVOKYTJWRZLUPI-UHFFFAOYSA-M

InChI=1S/C12H16O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h4-5,8-10,13H,1-3,6-7H2;/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C12H15O
Molecular Weight	175.2469
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 `Sat Dec 16 12:00:51 GMT 2023` Edited by `admin` on `Sat Dec 16 12:00:51 GMT 2023`
Record UNII	934PG6J7L2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sodium 2-cyclohexylphenolate

Systematic Name

English

Phenol, 2-cyclohexyl-, sodium salt

Common Name

English

Phenol, 2-cyclohexyl-, sodium salt (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

934PG6J7L2

Created by admin on Sat Dec 16 12:00:51 GMT 2023 , Edited by admin on Sat Dec 16 12:00:51 GMT 2023

PRIMARY

CAS

38122-15-5

Created by admin on Sat Dec 16 12:00:51 GMT 2023 , Edited by admin on Sat Dec 16 12:00:51 GMT 2023

PRIMARY

EPA CompTox

DTXSID90191532

Created by admin on Sat Dec 16 12:00:51 GMT 2023 , Edited by admin on Sat Dec 16 12:00:51 GMT 2023

PRIMARY

ECHA (EC/EINECS)

253-790-6

Created by admin on Sat Dec 16 12:00:51 GMT 2023 , Edited by admin on Sat Dec 16 12:00:51 GMT 2023

PRIMARY

PUBCHEM

23684558

Created by admin on Sat Dec 16 12:00:51 GMT 2023 , Edited by admin on Sat Dec 16 12:00:51 GMT 2023

PRIMARY

Related Record Type Details


					KIR1PB30LI

O-CYCLOHEXYLPHENOL

PARENT -> SALT/SOLVATE

Amount: