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Retrosynthesis · AI + evidence

Tricarballylic acid (C6H8O6)

Tricarballylic acid (C6H8O6; CAS 99-14-9) is a practical retrosynthesis target. Tricarballylic acid presents a C6 framework, a carboxylic acid. Open AI route search in one click below.

Target
Tricarballylic acid
CAS
99-14-9
Formula
C6H8O6
Approx. MW
176.12
SMILES
O=C(O)CC(CC(=O)O)C(=O)O
PubChem CID
14925
Approx. carbons
C6

Tricarballylic acid structure

Properties

IUPAC name
propane-1,2,3-tricarboxylic acid
Common names
Tricarballylic acid; 99-14-9; 1,2,3-Propanetricarboxylic acid; Carballylic acid; beta-Carboxyglutaric acid; Propane 1,2,3-tricarboxylic acid; 3-carboxypentanedioic acid; carboxymethylsuccinic acid; CHEBI:45969; PROPANE TRICARBOXYLIC ACID
Molecular weight
176.12
Exact mass
176.03
InChIKey
KQTIIICEAUMSDG-UHFFFAOYSA-N
Melting point
166 °C

View on PubChem

Tricarballylic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Tricarballylic acid?

Tricarballylic acid has molecular formula C6H8O6. Molecular weight about 176.12 g·mol⁻¹.

What is the CAS number of Tricarballylic acid?

The CAS Registry Number for Tricarballylic acid is 99-14-9.

Run AI retrosynthesis for Tricarballylic acid Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H8O6.

Related targets

Similar compounds

2-(carbamoylamino)pentanedioic acid2-Amino-3-methylpentanoic acid2-Amino-D-gluconic acid2-Aminohexanedioic acid2-Bromohexanoic Acid2-Chloro-4-methylpentanoic acid

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References & tools