3-Chloropentane-2,4-dione

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H7ClO2
Molecular Weight	134.561
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Chloropentane-2,4-dione

Structure Search

SMILES

CC(=O)C(Cl)C(C)=O

InChI

InChIKey=VLRGXXKFHVJQOL-UHFFFAOYSA-N

InChI=1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C5H7ClO2
Molecular Weight	134.561
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 `Tue Apr 01 17:53:48 GMT 2025` Edited by `admin` on `Tue Apr 01 17:53:48 GMT 2025`
Record UNII	XKV5PX3SLJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,4-Pentanedione, 3-chloro-

Preferred Name

English

3-Chloropentane-2,4-dione

Systematic Name

English

3-Chloro-2,4-pentanedione

Systematic Name

English

Code System Code Type Description

FDA UNII

XKV5PX3SLJ

Created by admin on Tue Apr 01 17:53:48 GMT 2025 , Edited by admin on Tue Apr 01 17:53:48 GMT 2025

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EPA CompTox

DTXSID9061887

Created by admin on Tue Apr 01 17:53:48 GMT 2025 , Edited by admin on Tue Apr 01 17:53:48 GMT 2025

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CAS

1694-29-7

Created by admin on Tue Apr 01 17:53:48 GMT 2025 , Edited by admin on Tue Apr 01 17:53:48 GMT 2025

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PUBCHEM

74328

Created by admin on Tue Apr 01 17:53:48 GMT 2025 , Edited by admin on Tue Apr 01 17:53:48 GMT 2025

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ECHA (EC/EINECS)

216-902-4

Created by admin on Tue Apr 01 17:53:48 GMT 2025 , Edited by admin on Tue Apr 01 17:53:48 GMT 2025

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