Octyl phenylacetate structure

Octyl phenylacetate

octyl 2-phenylacetate

CAS: 122-45-2
Molecular Formula C16H24O2
Molecular Weight 248.36 g/mol
LogP 5.3
Topological Polar Surface Area 26.3 A2
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 10
Exact Mass 248.17763
Heavy Atoms 18
Complexity 207.0

Chemical Identifiers

CAS Number 122-45-2
SMILES CCCCCCCCOC(=O)CC1=CC=CC=C1
InChIKey VGYPAVUJUMQTGE-UHFFFAOYSA-N

📖 Product Overview

Octyl phenylacetate (CAS: 122-45-2) is a chemical compound with molecular formula C16H24O2 and molecular weight 248.36 g/mol. Its IUPAC systematic name is octyl 2-phenylacetate. LogP 5.3 Topological Polar Surface Area 26.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 10 Exact Mass 248.17763 Heavy Atoms 18 Complexity 207.0 InChI Key: VGYPAVUJUMQTGE-UHFFFAOYSA-N. SMILES: CCCCCCCCOC(=O)CC1=CC=CC=C1.

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