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Details

Stereochemistry ACHIRAL
Molecular Formula C9H6O4
Molecular Weight 178.1415
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Carboxyphthalide

SMILES

OC(=O)C1=CC2=C(C=C1)C(=O)OC2

InChI

InChIKey=QTWUWCFGWYYRRL-UHFFFAOYSA-N
InChI=1S/C9H6O4/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C9H6O4
Molecular Weight 178.1415
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 Sat Dec 16 12:05:22 GMT 2023
Edited
by admin
on Sat Dec 16 12:05:22 GMT 2023
Record UNII
9NF25F2LUE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Carboxyphthalide
Systematic Name English
1,3-Dihydro-1-oxoisobenzofuran-5-carboxylic acid
Systematic Name English
1-Oxo-1,3-dihydroisobenzofuran-5-carboxylic acid
Systematic Name English
Phthalide-5-carboxylic acid
Systematic Name English
5-Phthalancarboxylic acid, 1-oxo-
Systematic Name English
5-Isobenzofurancarboxylic acid, 1,3-dihydro-1-oxo-
Systematic Name English
1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid
Systematic Name English
Code System Code Type Description
CAS
4792-29-4
Created by admin on Sat Dec 16 12:05:22 GMT 2023 , Edited by admin on Sat Dec 16 12:05:22 GMT 2023
PRIMARY
ECHA (EC/EINECS)
225-343-5
Created by admin on Sat Dec 16 12:05:22 GMT 2023 , Edited by admin on Sat Dec 16 12:05:22 GMT 2023
PRIMARY
PUBCHEM
78517
Created by admin on Sat Dec 16 12:05:22 GMT 2023 , Edited by admin on Sat Dec 16 12:05:22 GMT 2023
PRIMARY
FDA UNII
9NF25F2LUE
Created by admin on Sat Dec 16 12:05:22 GMT 2023 , Edited by admin on Sat Dec 16 12:05:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID00197348
Created by admin on Sat Dec 16 12:05:22 GMT 2023 , Edited by admin on Sat Dec 16 12:05:22 GMT 2023
PRIMARY