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Details

Stereochemistry RACEMIC
Molecular Formula C9H8O5
Molecular Weight 196.1568
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-(METHYLENEDIOXY)MANDELIC ACID

SMILES

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

InChI

InChIKey=CLUJFRCEPFNVHW-UHFFFAOYSA-N
InChI=1S/C9H8O5/c10-8(9(11)12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8,10H,4H2,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C9H8O5
Molecular Weight 196.1568
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 Sat Dec 16 19:07:14 GMT 2023
Edited
by admin
on Sat Dec 16 19:07:14 GMT 2023
Record UNII
4ZYA58BQJ8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-(METHYLENEDIOXY)MANDELIC ACID
Systematic Name English
2-HYDROXY-2-(3,4-METHYLENEDIOXYPHENYL)ACETIC ACID
Systematic Name English
ALPHA-HYDROXY-1,3-BENZODIOXOLE-5-ACETIC ACID
Systematic Name English
2-(1,3-BENZODIOXOL-5-YL)-2-HYDROXYACETIC ACID
Systematic Name English
MANDELIC ACID, 3,4-(METHYLENEDIOXY)-
Systematic Name English
1,3-BENZODIOXOLE-5-ACETIC ACID, .ALPHA.-HYDROXY-
Systematic Name English
Code System Code Type Description
FDA UNII
4ZYA58BQJ8
Created by admin on Sat Dec 16 19:07:14 GMT 2023 , Edited by admin on Sat Dec 16 19:07:14 GMT 2023
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CHEBI
65054
Created by admin on Sat Dec 16 19:07:14 GMT 2023 , Edited by admin on Sat Dec 16 19:07:14 GMT 2023
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CAS
27738-46-1
Created by admin on Sat Dec 16 19:07:14 GMT 2023 , Edited by admin on Sat Dec 16 19:07:14 GMT 2023
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EPA CompTox
DTXSID60950431
Created by admin on Sat Dec 16 19:07:14 GMT 2023 , Edited by admin on Sat Dec 16 19:07:14 GMT 2023
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PUBCHEM
119618
Created by admin on Sat Dec 16 19:07:14 GMT 2023 , Edited by admin on Sat Dec 16 19:07:14 GMT 2023
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