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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 2,3-DIHYDRO-1,4-BENZODIOXIN-5-CARBOXYLIC ACID

SMILES

OC(=O)C1=CC=CC2=C1OCCO2

InChI

InChIKey=VCLSWKVAHAJSFL-UHFFFAOYSA-N
InChI=1S/C9H8O4/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3H,4-5H2,(H,10,11)

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 17:48:32 GMT 2025
Edited
by admin
on Tue Apr 01 17:48:32 GMT 2025
Record UNII
1MM53EOJ8A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-DIHYDRO-1,4-BENZODIOXIN-5-CARBOXYLIC ACID
Systematic Name English
1,4-BENZODIOXANE-5-CARBOXYLIC ACID
Preferred Name English
2,3-DIHYDROBENZO(B)(1,4)DIOXINE-5-CARBOXYLIC ACID
Systematic Name English
1,4-BENZODIOXIN-5-CARBOXYLIC ACID, 2,3-DIHYDRO-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
224-670-0
Created by admin on Tue Apr 01 17:48:32 GMT 2025 , Edited by admin on Tue Apr 01 17:48:32 GMT 2025
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EPA CompTox
DTXSID90196168
Created by admin on Tue Apr 01 17:48:32 GMT 2025 , Edited by admin on Tue Apr 01 17:48:32 GMT 2025
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PUBCHEM
78184
Created by admin on Tue Apr 01 17:48:32 GMT 2025 , Edited by admin on Tue Apr 01 17:48:32 GMT 2025
PRIMARY
CAS
4442-53-9
Created by admin on Tue Apr 01 17:48:32 GMT 2025 , Edited by admin on Tue Apr 01 17:48:32 GMT 2025
PRIMARY
FDA UNII
1MM53EOJ8A
Created by admin on Tue Apr 01 17:48:32 GMT 2025 , Edited by admin on Tue Apr 01 17:48:32 GMT 2025
PRIMARY