4'-CHLOROVALEROPHENONE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H13ClO
Molecular Weight	196.673
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4'-CHLOROVALEROPHENONE

Structure Search

SMILES

CCCCC(=O)C1=CC=C(Cl)C=C1

InChI

InChIKey=XMUGWCSIQUJOFA-UHFFFAOYSA-N

InChI=1S/C11H13ClO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H13ClO
Molecular Weight	196.673
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 11:59:34 GMT 2023` Edited by `admin` on `Sat Dec 16 11:59:34 GMT 2023`
Record UNII	S62TTW9MS5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4'-CHLOROVALEROPHENONE

Systematic Name

English

NSC-76591

Code

English

P-CHLOROVALEROPHENONE

Systematic Name

English

Code System Code Type Description

FDA UNII

S62TTW9MS5

Created by admin on Sat Dec 16 11:59:34 GMT 2023 , Edited by admin on Sat Dec 16 11:59:34 GMT 2023

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EPA CompTox

DTXSID70179717

Created by admin on Sat Dec 16 11:59:34 GMT 2023 , Edited by admin on Sat Dec 16 11:59:34 GMT 2023

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CAS

25017-08-7

Created by admin on Sat Dec 16 11:59:34 GMT 2023 , Edited by admin on Sat Dec 16 11:59:34 GMT 2023

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NSC

76591

Created by admin on Sat Dec 16 11:59:34 GMT 2023 , Edited by admin on Sat Dec 16 11:59:34 GMT 2023

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ECHA (EC/EINECS)

246-566-4

Created by admin on Sat Dec 16 11:59:34 GMT 2023 , Edited by admin on Sat Dec 16 11:59:34 GMT 2023

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PUBCHEM

90686

Created by admin on Sat Dec 16 11:59:34 GMT 2023 , Edited by admin on Sat Dec 16 11:59:34 GMT 2023

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