2-Hydroxy-2-methyl-1-(4-propylphenyl)-1-propanone

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H18O2
Molecular Weight	206.2808
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Hydroxy-2-methyl-1-(4-propylphenyl)-1-propanone

Structure Search

SMILES

CCCC1=CC=C(C=C1)C(=O)C(C)(C)O

InChI

InChIKey=VOGSBOVWPQXXAH-UHFFFAOYSA-N

InChI=1S/C13H18O2/c1-4-5-10-6-8-11(9-7-10)12(14)13(2,3)15/h6-9,15H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H18O2
Molecular Weight	206.2808
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 19:20:46 GMT 2025` Edited by `admin` on `Wed Apr 02 19:20:46 GMT 2025`
Record UNII	D4L9VA93XP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Hydroxy-2-methyl-1-(4-propylphenyl)-1-propanone

Systematic Name

English

1-Propanone, 2-hydroxy-2-methyl-1-(4-propylphenyl)-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID9071507

Created by admin on Wed Apr 02 19:20:46 GMT 2025 , Edited by admin on Wed Apr 02 19:20:46 GMT 2025

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ECHA (EC/EINECS)

270-041-9

Created by admin on Wed Apr 02 19:20:46 GMT 2025 , Edited by admin on Wed Apr 02 19:20:46 GMT 2025

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PUBCHEM

110190

Created by admin on Wed Apr 02 19:20:46 GMT 2025 , Edited by admin on Wed Apr 02 19:20:46 GMT 2025

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FDA UNII

D4L9VA93XP

Created by admin on Wed Apr 02 19:20:46 GMT 2025 , Edited by admin on Wed Apr 02 19:20:46 GMT 2025

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CAS

68400-52-2

Created by admin on Wed Apr 02 19:20:46 GMT 2025 , Edited by admin on Wed Apr 02 19:20:46 GMT 2025

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