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105025-99-8

105025-99-8 structural image
Product Name: Phenyl propyl vanillat
Formula: C17H18O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Slightly yellow liquid / Mint
Solubility Insoluble
Density 1.153-1.155
Refractive Index 1.577-1.559

COMPUTED DESCRIPTORS

Molecular Weight 300.3 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 8
Exact Mass 300.13615911 g/mol
Monoisotopic Mass 300.13615911 g/mol
Topological Polar Surface Area 55.8 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 325
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes