3-CYCLOHEXYLPROPYL ISOBUTYRATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H24O2
Molecular Weight	212.3285
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-CYCLOHEXYLPROPYL ISOBUTYRATE

Structure Search

SMILES

CC(C)C(=O)OCCCC1CCCCC1

InChI

InChIKey=ZRPKJDKIHVQROS-UHFFFAOYSA-N

InChI=1S/C13H24O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h11-12H,3-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H24O2
Molecular Weight	212.3285
Charge	0
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 12:17:37 GMT 2023` Edited by `admin` on `Sat Dec 16 12:17:37 GMT 2023`
Record UNII	X3UA42TGL4
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-CYCLOHEXYLPROPYL ISOBUTYRATE

Systematic Name

English

3-CYCLOHEXYLPROPYL 2-METHYLPROPANOATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

3023280

Created by admin on Sat Dec 16 12:17:37 GMT 2023 , Edited by admin on Sat Dec 16 12:17:37 GMT 2023

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FDA UNII

X3UA42TGL4

Created by admin on Sat Dec 16 12:17:37 GMT 2023 , Edited by admin on Sat Dec 16 12:17:37 GMT 2023

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EPA CompTox

DTXSID00240247

Created by admin on Sat Dec 16 12:17:37 GMT 2023 , Edited by admin on Sat Dec 16 12:17:37 GMT 2023

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CAS

94021-78-0

Created by admin on Sat Dec 16 12:17:37 GMT 2023 , Edited by admin on Sat Dec 16 12:17:37 GMT 2023

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ECHA (EC/EINECS)

301-469-7

Created by admin on Sat Dec 16 12:17:37 GMT 2023 , Edited by admin on Sat Dec 16 12:17:37 GMT 2023

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