2-hexyl-4-phenyl-1,...

2-hexyl-4-phenyl-1,3-dioxolane(CAS No. 55668-39-8)

2-hexyl-4-phenyl-1,3-dioxolane(CAS No. 55668-39-8)

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2-hexyl-4-phenyl-1,3-dioxolane 55668-39-8 98%

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  • Appearance:Solid
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Details:

【Name】
2-hexyl-4-phenyl-1,3-dioxolane
【CAS Registry number】
55668-39-8
【Synonyms】
2-hexyl-4-phenyl-1,3-dioxolane
NSC44739
AC1L63DP
AC1Q2VV2
AC1Q70JA
AR-1E2059
NSC-44739
【Molecular Formula】
C15H22O2 (Products with the same molecular formula)
【Molecular Weight】
234.334
【Inchi】
InChI=1/C15H22O2/c1-2-3-4-8-11-15-16-12-14(17-15)13-9-6-5-7-10-13/h5-7,9-10,14-15H,2-4,8,11-12H2,1H3
【Canonical SMILES】
CCCCCCC1OCC(O1)C2=CC=CC=C2
Chemical and Physical Properties
【Density】
0.982g/cm3
【Boiling Point】
327.2°C at 760 mmHg
【Refractive Index】
1.493
【Flash Point】
163.8°C
【Computed Properties】
Molecular Weight:234.33398 [g/mol]
Molecular Formula:C15H22O2
XLogP3-AA:4.3
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:6
Exact Mass:234.16198
MonoIsotopic Mass:234.16198
Topological Polar Surface Area:18.5
Heavy Atom Count:17
Formal Charge:0
Complexity:199
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:2
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:200

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