nonyl 3-oxo-1H-2-benzofuran-5-carboxylate

CAS: 54699-44-4

Molecular Formula	`C18H24O4`
Molecular Weight	304.4 g/mol
LogP	5.2
Topological Polar Surface Area	52.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	10
Exact Mass	304.16745
Heavy Atoms	22
Complexity	366.0

Chemical Identifiers

CAS Number	54699-44-4
SMILES	`CCCCCCCCCOC(=O)C1=CC2=C(COC2=O)C=C1`
InChIKey	`XJAXUZMCYRLFLG-UHFFFAOYSA-N`

📖 Product Overview

nonyl 3-oxo-1H-2-benzofuran-5-carboxylate (CAS: 54699-44-4) is a chemical compound with molecular formula C18H24O4 and molecular weight 304.4 g/mol. Its IUPAC systematic name is nonyl 3-oxo-1H-2-benzofuran-5-carboxylate. LogP 5.2 Topological Polar Surface Area 52.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 10 Exact Mass 304.16745 Heavy Atoms 22 Complexity 366.0 InChI Key: XJAXUZMCYRLFLG-UHFFFAOYSA-N. SMILES: CCCCCCCCCOC(=O)C1=CC2=C(COC2=O)C=C1.

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