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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8O4
Molecular Weight 180.1574
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 1,3-BENZODIOXOLE-5-CARBOXYLATE

SMILES

COC(=O)C1=CC2=C(OCO2)C=C1

InChI

InChIKey=QCHGUEIECOASJU-UHFFFAOYSA-N
InChI=1S/C9H8O4/c1-11-9(10)6-2-3-7-8(4-6)13-5-12-7/h2-4H,5H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H8O4
Molecular Weight 180.1574
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 19:11:09 GMT 2025
Edited
by admin
on Tue Apr 01 19:11:09 GMT 2025
Record UNII
VAB2E5C0S5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 1,3-BENZODIOXOLE-5-CARBOXYLATE
Systematic Name English
NSC-21790
Preferred Name English
METHYL BENZO(D)DIOXOLE-5-CARBOXYLATE
Systematic Name English
METHYL PIPERONYLATE
Common Name English
METHYL BENZO(D)(1,3)DIOXOLE-5-CARBOXYLATE
Systematic Name English
1,3-BENZODIOXOLE-5-CARBOXYLIC ACID, METHYL ESTER
Common Name English
METHYL 3,4-METHYLENEDIOXYBENZOATE
Systematic Name English
PIPERONYLIC ACID, METHYL ESTER
Common Name English
Code System Code Type Description
NSC
21790
Created by admin on Tue Apr 01 19:11:09 GMT 2025 , Edited by admin on Tue Apr 01 19:11:09 GMT 2025
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CAS
326-56-7
Created by admin on Tue Apr 01 19:11:09 GMT 2025 , Edited by admin on Tue Apr 01 19:11:09 GMT 2025
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FDA UNII
VAB2E5C0S5
Created by admin on Tue Apr 01 19:11:09 GMT 2025 , Edited by admin on Tue Apr 01 19:11:09 GMT 2025
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EPA CompTox
DTXSID2059809
Created by admin on Tue Apr 01 19:11:09 GMT 2025 , Edited by admin on Tue Apr 01 19:11:09 GMT 2025
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PUBCHEM
67590
Created by admin on Tue Apr 01 19:11:09 GMT 2025 , Edited by admin on Tue Apr 01 19:11:09 GMT 2025
PRIMARY
ECHA (EC/EINECS)
206-309-9
Created by admin on Tue Apr 01 19:11:09 GMT 2025 , Edited by admin on Tue Apr 01 19:11:09 GMT 2025
PRIMARY