6-PHENYL-2-HEXANONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H16O
Molecular Weight	176.2548
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-PHENYL-2-HEXANONE

Structure Search

SMILES

CC(=O)CCCCC1=CC=CC=C1

InChI

InChIKey=RVHCOKLJDUVNOR-UHFFFAOYSA-N

InChI=1S/C12H16O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-4,8-9H,5-7,10H2,1H3

HIDE SMILES / InChI

Molecular Formula	C12H16O
Molecular Weight	176.2548
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 `Mon Mar 31 18:25:51 GMT 2025` Edited by `admin` on `Mon Mar 31 18:25:51 GMT 2025`
Record UNII	5BE4G58B24
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-PHENYL-5-HEXANONE

Preferred Name

English

6-PHENYL-2-HEXANONE

Systematic Name

English

NSC-210804

Code

English

2-HEXANONE, 6-PHENYL-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

238-017-2

Created by admin on Mon Mar 31 18:25:51 GMT 2025 , Edited by admin on Mon Mar 31 18:25:51 GMT 2025

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FDA UNII

5BE4G58B24

Created by admin on Mon Mar 31 18:25:51 GMT 2025 , Edited by admin on Mon Mar 31 18:25:51 GMT 2025

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EPA CompTox

DTXSID20161809

Created by admin on Mon Mar 31 18:25:51 GMT 2025 , Edited by admin on Mon Mar 31 18:25:51 GMT 2025

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PUBCHEM

26530

Created by admin on Mon Mar 31 18:25:51 GMT 2025 , Edited by admin on Mon Mar 31 18:25:51 GMT 2025

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NSC

210804

Created by admin on Mon Mar 31 18:25:51 GMT 2025 , Edited by admin on Mon Mar 31 18:25:51 GMT 2025

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CAS

14171-89-2

Created by admin on Mon Mar 31 18:25:51 GMT 2025 , Edited by admin on Mon Mar 31 18:25:51 GMT 2025

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