AC1L58HF structure

AC1L58HF

benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexane-1,6-diol

Also Known As: (C8-H6-O4.C6-H14-O3.C6-H14-O2.C5-H12-O2)x-|1,3-Benzenedicarboxylic acid, trimethylolpropane, neopentyl glycol,1,6-hexanediol polymer|1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 1,6-hexanediol|1,3-Benzenedicarboxylic acid, trimethylolpropane, neopentyl glycol, 1,6-hexanediol polymer|benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol

CAS: 67892-80-2
Molecular Formula C25H46O11
Molecular Weight 522.304 g/mol
LogP 0.9713
Topological Polar Surface Area 216.0 Ų
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 11
Rotatable Bonds 13
Exact Mass 522.304
Monoisotopic Mass 522.304
Heavy Atoms 36
Complexity 315.0

Chemical Identifiers

CAS Number 67892-80-2
SMILES CCC(CO)(CO)CO.CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCO)CCO
InChIKey UYGZYRAORIEMME-UHFFFAOYSA-N

Product Overview

AC1L58HF (CAS 67892-80-2), with molecular formula C25H46O11 and molecular weight 522.304 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexane-1,6-diol.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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