5-METHYL-5-PHENYL-3-HEXANONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H18O
Molecular Weight	190.2814
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-METHYL-5-PHENYL-3-HEXANONE

Structure Search

SMILES

CCC(=O)CC(C)(C)C1=CC=CC=C1

InChI

InChIKey=VEZKFOIEZCNFBT-UHFFFAOYSA-N

InChI=1S/C13H18O/c1-4-12(14)10-13(2,3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H18O
Molecular Weight	190.2814
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 19:08:56 GMT 2023` Edited by `admin` on `Sat Dec 16 19:08:56 GMT 2023`
Record UNII	559W78R3BZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-METHYL-5-PHENYL-3-HEXANONE

Systematic Name

English

5-METHYL-5-PHENYLHEXAN-3-ONE

Systematic Name

English

3-HEXANONE, 5-METHYL-5-PHENYL-

Systematic Name

English

Code System Code Type Description

CAS

4927-36-0

Created by admin on Sat Dec 16 19:08:56 GMT 2023 , Edited by admin on Sat Dec 16 19:08:56 GMT 2023

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ECHA (EC/EINECS)

225-561-0

Created by admin on Sat Dec 16 19:08:56 GMT 2023 , Edited by admin on Sat Dec 16 19:08:56 GMT 2023

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FDA UNII

559W78R3BZ

Created by admin on Sat Dec 16 19:08:56 GMT 2023 , Edited by admin on Sat Dec 16 19:08:56 GMT 2023

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EPA CompTox

DTXSID5052129

Created by admin on Sat Dec 16 19:08:56 GMT 2023 , Edited by admin on Sat Dec 16 19:08:56 GMT 2023

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PUBCHEM

78639

Created by admin on Sat Dec 16 19:08:56 GMT 2023 , Edited by admin on Sat Dec 16 19:08:56 GMT 2023

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