VERATRALACETONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H14O3
Molecular Weight	206.2378
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of VERATRALACETONE

Structure Search

SMILES

COC1=CC=C(\C=C\C(C)=O)C=C1OC

InChI

InChIKey=XUYBNDHXZMIALN-SNAWJCMRSA-N

InChI=1S/C12H14O3/c1-9(13)4-5-10-6-7-11(14-2)12(8-10)15-3/h4-8H,1-3H3/b5-4+

HIDE SMILES / InChI

Molecular Formula	C12H14O3
Molecular Weight	206.2378
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:06:18 GMT 2023` Edited by `admin` on `Sat Dec 16 09:06:18 GMT 2023`
Record UNII	DBT8CR6TVM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VERATRALACETONE

Common Name

English

NSC-96088

Code

English

4-(3,4-DIMETHOXYPHENYL)-(3E)-BUTEN-2-ONE

Common Name

English

3,4-DIMETHOXYBENZALACETONE

Common Name

English

3-BUTEN-2-ONE, 4-(3,4-DIMETHOXYPHENYL)-

Common Name

English

NSC-217305

Code

English

3-BUTEN-2-ONE, 4-(3,4-DIMETHOXYPHENYL)-, (3E)-

Systematic Name

English

3-BUTEN-2-ONE, 4-(3,4-DIMETHOXYPHENYL)-, (E)-

Common Name

English

Code System Code Type Description

CAS

15001-27-1

Created by admin on Sat Dec 16 09:06:18 GMT 2023 , Edited by admin on Sat Dec 16 09:06:18 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

DBT8CR6TVM

Created by admin on Sat Dec 16 09:06:18 GMT 2023 , Edited by admin on Sat Dec 16 09:06:18 GMT 2023

PRIMARY

NSC

217305

Created by admin on Sat Dec 16 09:06:18 GMT 2023 , Edited by admin on Sat Dec 16 09:06:18 GMT 2023

PRIMARY

CAS

60234-90-4

Created by admin on Sat Dec 16 09:06:18 GMT 2023 , Edited by admin on Sat Dec 16 09:06:18 GMT 2023

PRIMARY

EPA CompTox

DTXSID501286656

Created by admin on Sat Dec 16 09:06:18 GMT 2023 , Edited by admin on Sat Dec 16 09:06:18 GMT 2023

PRIMARY

PUBCHEM

5825725

Created by admin on Sat Dec 16 09:06:18 GMT 2023 , Edited by admin on Sat Dec 16 09:06:18 GMT 2023

PRIMARY

PUBCHEM

NSC

96088

Created by admin on Sat Dec 16 09:06:18 GMT 2023 , Edited by admin on Sat Dec 16 09:06:18 GMT 2023

PRIMARY