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Details

Stereochemistry ACHIRAL
Molecular Formula C10H8O6
Molecular Weight 224.1669
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(CARBOXYMETHYL)-2-HYDROXY-3-OXO-1,4,6-CYCLOHEPTATRIENE-1-CARBOXYLIC ACID

SMILES

OC(=O)CC1=CC=CC(=O)C(O)=C1C(O)=O

InChI

InChIKey=GROJNADPOMHDCI-UHFFFAOYSA-N
InChI=1S/C10H8O6/c11-6-3-1-2-5(4-7(12)13)8(9(6)14)10(15)16/h1-3H,4H2,(H,11,14)(H,12,13)(H,15,16)

HIDE SMILES / InChI

Molecular Formula C10H8O6
Molecular Weight 224.1669
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 19:59:13 GMT 2025
Edited
by admin
on Tue Apr 01 19:59:13 GMT 2025
Record UNII
KDY22YR35W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(CARBOXYMETHYL)-2-HYDROXY-3-OXO-1,4,6-CYCLOHEPTATRIENE-1-CARBOXYLIC ACID
Systematic Name English
NSC-100929
Preferred Name English
7-CARBOXY-6-HYDROXY-5-OXO-1,3,6-CYCLOHEPTATRIENE-1-ACETIC ACID
Systematic Name English
1,3,6-CYCLOHEPTATRIENE-1-ACETIC ACID, 7-CARBOXY-6-HYDROXY-5-OXO-
Systematic Name English
Code System Code Type Description
CAS
4666-80-2
Created by admin on Tue Apr 01 19:59:13 GMT 2025 , Edited by admin on Tue Apr 01 19:59:13 GMT 2025
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PUBCHEM
265117
Created by admin on Tue Apr 01 19:59:13 GMT 2025 , Edited by admin on Tue Apr 01 19:59:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID80196899
Created by admin on Tue Apr 01 19:59:13 GMT 2025 , Edited by admin on Tue Apr 01 19:59:13 GMT 2025
PRIMARY
FDA UNII
KDY22YR35W
Created by admin on Tue Apr 01 19:59:13 GMT 2025 , Edited by admin on Tue Apr 01 19:59:13 GMT 2025
PRIMARY
NSC
100929
Created by admin on Tue Apr 01 19:59:13 GMT 2025 , Edited by admin on Tue Apr 01 19:59:13 GMT 2025
PRIMARY