Isocitric acid (C6H8O7)

isocitric acid presents a C6 framework, a carboxylic acid (formula C6H8O7, CAS 320-77-4). ChemicalTool Reaction can propose ranked disconnections for isocitric acid from the SMILES O=C(O)CC(C(=O)O)C(O)C(=O)O.

Target: Isocitric acid
CAS: 320-77-4
Formula: C6H8O7
Approx. MW: 192.12
SMILES: O=C(O)CC(C(=O)O)C(O)C(=O)O
PubChem CID: 1198
Approx. carbons: C6

Isocitric acid structure

Properties

IUPAC name: 1-hydroxypropane-1,2,3-tricarboxylic acid
Common names: isocitric acid; 320-77-4; 1-Hydroxypropane-1,2,3-tricarboxylic acid; 3-carboxy-2,3-dideoxypentaric acid; 1-Hydroxytricarballylic acid; 9RW6G5D4MQ; CHEBI:30887; DTXSID10415742; RefChem:923656; DTXCID40366591
Molecular weight: 192.12
Exact mass: 192.03
InChIKey: ODBLHEXUDAPZAU-UHFFFAOYSA-N

View on PubChem

Isocitric acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isocitric acid?

Isocitric acid has molecular formula C6H8O7. Molecular weight about 192.12 g·mol⁻¹.

What is the CAS number of Isocitric acid?

The CAS Registry Number for Isocitric acid is 320-77-4.

Run AI retrosynthesis for Isocitric acid Target catalog AI tools overview

Open the planner with Isocitric acid preloaded, then keep routes that match CAS 320-77-4.

Related targets

Similar compounds

citric acid 2-(carbamoylamino)pentanedioic acid 2-Amino-3-methylpentanoic acid 2-Amino-D-gluconic acid 2-Aminohexanedioic acid 2-Bromohexanoic Acid

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.