trihexyl benzene-1,2,4-tricarboxylate

CAS: 1528-49-0

Molecular Formula	`C27H42O6`
Molecular Weight	462.6 g/mol
LogP	8.5
Topological Polar Surface Area	78.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	21
Exact Mass	462.29813
Heavy Atoms	33
Complexity	547.0

Chemical Identifiers

CAS Number	1528-49-0
SMILES	`CCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCC)C(=O)OCCCCCC`
InChIKey	`MXHBQKVKHGQWRB-UHFFFAOYSA-N`

📖 Product Overview

trihexyl benzene-1,2,4-tricarboxylate (CAS: 1528-49-0) is a chemical compound with molecular formula C27H42O6 and molecular weight 462.6 g/mol. Its IUPAC systematic name is trihexyl benzene-1,2,4-tricarboxylate. LogP 8.5 Topological Polar Surface Area 78.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 21 Exact Mass 462.29813 Heavy Atoms 33 Complexity 547.0 InChI Key: MXHBQKVKHGQWRB-UHFFFAOYSA-N. SMILES: CCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCC)C(=O)OCCCCCC.

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