trioctyl benzene-1,2,4-tricarboxylate

CAS: 89-04-3

Molecular Formula	`C33H54O6`
Molecular Weight	546.8 g/mol
LogP	11.7
Topological Polar Surface Area	78.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	27
Exact Mass	546.392
Heavy Atoms	39
Complexity	634.0

Chemical Identifiers

CAS Number	89-04-3
SMILES	`CCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC`
InChIKey	`JNXDCMUUZNIWPQ-UHFFFAOYSA-N`

📖 Product Overview

trioctyl benzene-1,2,4-tricarboxylate (CAS: 89-04-3) is a chemical compound with molecular formula C33H54O6 and molecular weight 546.8 g/mol. Its IUPAC systematic name is trioctyl benzene-1,2,4-tricarboxylate. LogP 11.7 Topological Polar Surface Area 78.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 27 Exact Mass 546.392 Heavy Atoms 39 Complexity 634.0 InChI Key: JNXDCMUUZNIWPQ-UHFFFAOYSA-N. SMILES: CCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC.

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