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Details

Stereochemistry ACHIRAL
Molecular Formula C9H6O2
Molecular Weight 146.1427
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Ethynyl-1,3-benzodioxole

SMILES

C#CC1=CC2=C(OCO2)C=C1

InChI

InChIKey=XMXCRJLWEKHZAV-UHFFFAOYSA-N
InChI=1S/C9H6O2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h1,3-5H,6H2

HIDE SMILES / InChI

Molecular Formula C9H6O2
Molecular Weight 146.1427
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 Tue Apr 01 19:36:01 GMT 2025
Edited
by admin
on Tue Apr 01 19:36:01 GMT 2025
Record UNII
R5TCC7VX7J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Ethynylbenzo-1,3-dioxole
Preferred Name English
5-Ethynyl-1,3-benzodioxole
Systematic Name English
1,3-Benzodioxole, 5-ethynyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
92680
Created by admin on Tue Apr 01 19:36:01 GMT 2025 , Edited by admin on Tue Apr 01 19:36:01 GMT 2025
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FDA UNII
R5TCC7VX7J
Created by admin on Tue Apr 01 19:36:01 GMT 2025 , Edited by admin on Tue Apr 01 19:36:01 GMT 2025
PRIMARY
CAS
57134-53-9
Created by admin on Tue Apr 01 19:36:01 GMT 2025 , Edited by admin on Tue Apr 01 19:36:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID60205771
Created by admin on Tue Apr 01 19:36:01 GMT 2025 , Edited by admin on Tue Apr 01 19:36:01 GMT 2025
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ECHA (EC/EINECS)
260-583-4
Created by admin on Tue Apr 01 19:36:01 GMT 2025 , Edited by admin on Tue Apr 01 19:36:01 GMT 2025
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