phenyl octanoate(CAS No. 5457-78-3)

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1 Gram	Negotiable

1 Gram

Negotiable

Min.Order :1 Gram
Purity: 99%
Payment Terms : L/C,T/T,

Keywords

phenyl octanoate 5457-78-3 98%

Quick Details

Appearance:Solid
Application:Organic Chemicals
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Details:

【Name】
phenyl octanoate
【Iupac name】
phenyl octanoate
【CAS Registry number】
5457-78-3
【Synonyms】
octanoic acid, phenyl ester
Phenyl octanoate
【Molecular Formula】
C14H20O2 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C14H20O2/c1-2-3-4-5-9-12-14(15)16-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
【Canonical SMILES】
CCCCCCCC(=O)OC1=CC=CC=C1
【MOL File】
5457-78-3.mol
Chemical and Physical Properties
【Density】
0.974g/cm3
【Boiling Point】
302.5°C at 760 mmHg
【Refractive Index】
1.49
【Flash Point】
108.6°C
【Computed Properties】
Molecular Weight:220.3074 [g/mol]
Molecular Formula:C14H20O2
XLogP3-AA:4.7
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:8
Exact Mass:220.14633
MonoIsotopic Mass:220.14633
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Formal Charge:0
Complexity:183
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
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:3
Feature 3D Ring Count:1
Effective Rotor Count:8
Conformer Sampling RMSD:0.8
CID Conformer Count:481

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