Hexahydroterephthalic acid (C8H12O4)

Looking for routes to Hexahydroterephthalic acid? Hexahydroterephthalic acid presents a C8 framework, a carboxylic acid. Use the planner with prefilled SMILES, or copy O=C(O)C1CCC(C(=O)O)CC1 (CAS 1076-97-7).

Target: Hexahydroterephthalic acid
CAS: 1076-97-7
Formula: C8H12O4
Approx. MW: 172.18
SMILES: O=C(O)C1CCC(C(=O)O)CC1
PubChem CID: 14106
Approx. carbons: C8

Hexahydroterephthalic acid structure

Properties

IUPAC name: cyclohexane-1,4-dicarboxylic acid
Common names: 1,4-CYCLOHEXANEDICARBOXYLIC ACID; 1076-97-7; cyclohexane-1,4-dicarboxylic acid; Hexahydroterephthalic acid; 1,4-Dicarboxycyclohexane; Terephthalic acid, hexahydro-; DTXSID2038788; (1S,4S)-CYCLOHEXANE-1,4-DICARBOXYLIC ACID; EINECS 214-068-6; 13LBH83IU4
Molecular weight: 172.18
Exact mass: 172.07
InChIKey: PXGZQGDTEZPERC-UHFFFAOYSA-N

View on PubChem

Hexahydroterephthalic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Hexahydroterephthalic acid?

Hexahydroterephthalic acid has molecular formula C8H12O4. Molecular weight about 172.18 g·mol⁻¹.

What is the CAS number of Hexahydroterephthalic acid?

The CAS Registry Number for Hexahydroterephthalic acid is 1076-97-7.

Run AI retrosynthesis for Hexahydroterephthalic acid Target catalog AI tools overview

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References & tools

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