1-(2-Methoxyphenyl)-2-butanone

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14O2
Molecular Weight	178.2277
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(2-Methoxyphenyl)-2-butanone

Structure Search

SMILES

CCC(=O)CC1=CC=CC=C1OC

InChI

InChIKey=XGXSLZMKKZHYTA-UHFFFAOYSA-N

InChI=1S/C11H14O2/c1-3-10(12)8-9-6-4-5-7-11(9)13-2/h4-7H,3,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C11H14O2
Molecular Weight	178.2277
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 12:37:09 GMT 2023` Edited by `admin` on `Sat Dec 16 12:37:09 GMT 2023`
Record UNII	T6XNP79BLK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(2-Methoxyphenyl)-2-butanone

Systematic Name

English

2-Butanone, 1-(o-methoxyphenyl)-

Systematic Name

English

1-(2-Methoxyphenyl)butan-2-one

Systematic Name

English

2-Butanone, 1-(2-methoxyphenyl)-

Systematic Name

English

Code System Code Type Description

FDA UNII

T6XNP79BLK

Created by admin on Sat Dec 16 12:37:10 GMT 2023 , Edited by admin on Sat Dec 16 12:37:10 GMT 2023

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ECHA (EC/EINECS)

248-457-7

Created by admin on Sat Dec 16 12:37:10 GMT 2023 , Edited by admin on Sat Dec 16 12:37:10 GMT 2023

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EPA CompTox

DTXSID50181853

Created by admin on Sat Dec 16 12:37:10 GMT 2023 , Edited by admin on Sat Dec 16 12:37:10 GMT 2023

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PUBCHEM

3015376

Created by admin on Sat Dec 16 12:37:10 GMT 2023 , Edited by admin on Sat Dec 16 12:37:10 GMT 2023

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CAS

27432-39-9

Created by admin on Sat Dec 16 12:37:10 GMT 2023 , Edited by admin on Sat Dec 16 12:37:10 GMT 2023

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