2-BUTANONE, 4-(4-METHOXYPHENYL)-3-METHYL-

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H16O2
Molecular Weight	192.2542
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-BUTANONE, 4-(4-METHOXYPHENYL)-3-METHYL-

Structure Search

SMILES

COC1=CC=C(CC(C)C(C)=O)C=C1

InChI

InChIKey=NWOQMCFVOCINBU-UHFFFAOYSA-N

InChI=1S/C12H16O2/c1-9(10(2)13)8-11-4-6-12(14-3)7-5-11/h4-7,9H,8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C12H16O2
Molecular Weight	192.2542
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:28:36 GMT 2025` Edited by `admin` on `Mon Mar 31 23:28:36 GMT 2025`
Record UNII	35866FP9BG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-29906

Preferred Name

English

2-BUTANONE, 4-(4-METHOXYPHENYL)-3-METHYL-

Systematic Name

English

4-(4-METHOXYPHENYL)-3-METHYL-2-BUTANONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80867355

Created by admin on Mon Mar 31 23:28:36 GMT 2025 , Edited by admin on Mon Mar 31 23:28:36 GMT 2025

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ECHA (EC/EINECS)

267-240-8

Created by admin on Mon Mar 31 23:28:36 GMT 2025 , Edited by admin on Mon Mar 31 23:28:36 GMT 2025

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NSC

29906

Created by admin on Mon Mar 31 23:28:36 GMT 2025 , Edited by admin on Mon Mar 31 23:28:36 GMT 2025

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CAS

67828-19-7

Created by admin on Mon Mar 31 23:28:36 GMT 2025 , Edited by admin on Mon Mar 31 23:28:36 GMT 2025

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FDA UNII

35866FP9BG

Created by admin on Mon Mar 31 23:28:36 GMT 2025 , Edited by admin on Mon Mar 31 23:28:36 GMT 2025

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PUBCHEM

97708

Created by admin on Mon Mar 31 23:28:36 GMT 2025 , Edited by admin on Mon Mar 31 23:28:36 GMT 2025

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