U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H10O3
Molecular Weight 190.1953
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ?-Methylene-1,3-benzodioxole-5-propanal

SMILES

C=C(CC1=CC=C2OCOC2=C1)C=O

InChI

InChIKey=GQPLAQHDCOTNIP-UHFFFAOYSA-N
InChI=1S/C11H10O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6H,1,4,7H2

HIDE SMILES / InChI

Approval Year

Name Type Language
?-Methylene-1,3-benzodioxole-5-propanal
Systematic Name English
?-Methylene-1,3-benzodioxole-5-propionaldehyde
Preferred Name English
1,3-Benzodioxole-5-propanal, ?-methylene-
Systematic Name English
Code System Code Type Description
PUBCHEM
6453022
Created by admin on Tue Apr 01 19:05:32 GMT 2025 , Edited by admin on Tue Apr 01 19:05:32 GMT 2025
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FDA UNII
4GF3UP9T8V
Created by admin on Tue Apr 01 19:05:32 GMT 2025 , Edited by admin on Tue Apr 01 19:05:32 GMT 2025
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EPA CompTox
DTXSID20202968
Created by admin on Tue Apr 01 19:05:32 GMT 2025 , Edited by admin on Tue Apr 01 19:05:32 GMT 2025
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ECHA (EC/EINECS)
259-212-9
Created by admin on Tue Apr 01 19:05:32 GMT 2025 , Edited by admin on Tue Apr 01 19:05:32 GMT 2025
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CAS
54546-95-1
Created by admin on Tue Apr 01 19:05:32 GMT 2025 , Edited by admin on Tue Apr 01 19:05:32 GMT 2025
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