Hemimellitene (C9H12)

Hemimellitene (C9H12; CAS 526-73-8) is a practical retrosynthesis target. Hemimellitene presents a C9 framework, aromatic rings. Open AI route search in one click below.

Target: Hemimellitene
CAS: 526-73-8
Formula: C9H12
Approx. MW: 120.20
SMILES: Cc1cccc(C)c1C
PubChem CID: 10686
Approx. carbons: C9

Hemimellitene structure

Properties

IUPAC name: 1,2,3-trimethylbenzene
Common names: 1,2,3-TRIMETHYLBENZENE; 526-73-8; Hemimellitene; Hemellitol; Hemimellitol; ZK4R7UPH6R; NSC-5167; DTXCID7027750; CHEBI:34037; RefChem:53594
Molecular weight: 120.19
Exact mass: 120.09
InChIKey: FYGHSUNMUKGBRK-UHFFFAOYSA-N
Melting point: -25.4 °C
Boiling point: 176.12 °C
Density: 0.8944 g/cu cm at 20 °C

View on PubChem

Hemimellitene 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Hemimellitene?

Hemimellitene has molecular formula C9H12. Molecular weight about 120.20 g·mol⁻¹.

What is the CAS number of Hemimellitene?

The CAS Registry Number for Hemimellitene is 526-73-8.

Run AI retrosynthesis for Hemimellitene Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C9H12.

Related targets

Similar compounds

1-Ethyl-2-methylbenzene 3-Ethyltoluene 4-Ethyltoluene Cumene Mesitylene Propylbenzene

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.