1'-ACETOXYSAFROLE

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H12O4
Molecular Weight	220.2213
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)OC(C=C)C1=CC=C2OCOC2=C1

InChI

InChIKey=TXUCQVJZBXYDKH-UHFFFAOYSA-N

InChI=1S/C12H12O4/c1-3-10(16-8(2)13)9-4-5-11-12(6-9)15-7-14-11/h3-6,10H,1,7H2,2H3

HIDE SMILES / InChI

Molecular Formula	C12H12O4
Molecular Weight	220.2213
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 22:00:12 GMT 2025` Edited by `admin` on `Mon Mar 31 22:00:12 GMT 2025`
Record UNII	T1060XFT05
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

J3.494K

Preferred Name

English

1'-ACETOXYSAFROLE

Systematic Name

English

1,3-BENZODIOXOLE-5-METHANOL, .ALPHA.-ETHENYL-, 5-ACETATE

Systematic Name

English

1,3-BENZODIOXOLE-5-METHANOL, .ALPHA.-ETHENYL-, ACETATE

Systematic Name

English

5-(1-ACETOXY-2-PROPENYL)-1,3-BENZODIOXOLE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID5039226

Created by admin on Mon Mar 31 22:00:12 GMT 2025 , Edited by admin on Mon Mar 31 22:00:12 GMT 2025

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PUBCHEM

36868

Created by admin on Mon Mar 31 22:00:12 GMT 2025 , Edited by admin on Mon Mar 31 22:00:12 GMT 2025

PRIMARY

CAS

34627-78-6

Created by admin on Mon Mar 31 22:00:12 GMT 2025 , Edited by admin on Mon Mar 31 22:00:12 GMT 2025

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FDA UNII

T1060XFT05

Created by admin on Mon Mar 31 22:00:12 GMT 2025 , Edited by admin on Mon Mar 31 22:00:12 GMT 2025

PRIMARY