ALLYL BENZOATE

Product Information

Molecular Formula:
C10H10O2
Molecular Weight:
162.19
Description
Allyl benzoate is a benzoate ester.
Synonyms
BENZOIC ACID ALLYL ESTER; ALLYL BENZOATE; 2-Propenyl benzoate; benzoicacid,2-propenylester; Allylbenzoate,97%; prop-2-enyl benzoate
IUPAC Name
prop-2-enyl benzoate
Canonical SMILES
C=CCOC(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7H,1,8H2
InChI Key
LYJHVEDILOKZCG-UHFFFAOYSA-N
Boiling Point
242 °C
Purity
>98.0%(GC)
Density
1.05
Solubility
348.1 mg/L at 25 °C (est)
Appearance
Colorless to Light yellow to Light orange clear liquid
Refractive Index
1.52
LogP
3.024 (est)

Computed Properties

XLogP3
2.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
162.068079557 g/mol
Monoisotopic Mass
162.068079557 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
157
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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