3-Heptylidene-2,4-pentanedione

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H20O2
Molecular Weight	196.286
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Heptylidene-2,4-pentanedione

Structure Search

SMILES

CCCCCCC=C(C(C)=O)C(C)=O

InChI

InChIKey=IKWSCVCGBUEZJD-UHFFFAOYSA-N

InChI=1S/C12H20O2/c1-4-5-6-7-8-9-12(10(2)13)11(3)14/h9H,4-8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C12H20O2
Molecular Weight	196.286
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 `Wed Apr 02 17:17:26 GMT 2025` Edited by `admin` on `Wed Apr 02 17:17:26 GMT 2025`
Record UNII	VJK8FR2BNC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Heptylidene-2,4-pentanedione

Systematic Name

English

3-Heptylidenepentane-2,4-dione

Preferred Name

English

2,4-Pentanedione, 3-heptylidene-

Systematic Name

English

Code System Code Type Description

CAS

94134-76-6

Created by admin on Wed Apr 02 17:17:26 GMT 2025 , Edited by admin on Wed Apr 02 17:17:26 GMT 2025

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EPA CompTox

DTXSID00240727

Created by admin on Wed Apr 02 17:17:26 GMT 2025 , Edited by admin on Wed Apr 02 17:17:26 GMT 2025

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FDA UNII

VJK8FR2BNC

Created by admin on Wed Apr 02 17:17:26 GMT 2025 , Edited by admin on Wed Apr 02 17:17:26 GMT 2025

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PUBCHEM

3023691

Created by admin on Wed Apr 02 17:17:26 GMT 2025 , Edited by admin on Wed Apr 02 17:17:26 GMT 2025

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ECHA (EC/EINECS)

302-845-3

Created by admin on Wed Apr 02 17:17:26 GMT 2025 , Edited by admin on Wed Apr 02 17:17:26 GMT 2025

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