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1,3-Dioxolane-4-ethanol,2-phenyl- 5470-85-9 98%
【Name】
1,3-Dioxolane-4-ethanol,2-phenyl-
【CAS Registry number】
5470-85-9
【Synonyms】
NSC 27993
【Molecular Formula】
C11H14 O3 (Products with the same molecular formula)
【Molecular Weight】
194.2271
【Inchi】
InChI=1/C11H14O3/c12-7-6-10-8-13-11(14-10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
【Canonical SMILES】
C1C(OC(O1)C2=CC=CC=C2)CCO
Chemical and Physical Properties
【Density】
1.142g/cm3
【Boiling Point】
323.7°Cat760mmHg
【Refractive Index】
1.527
【Flash Point】
160.1°C
【Computed Properties】
Molecular Weight:194.22706 [g/mol]
Molecular Formula:C11H14O3
XLogP3-AA:1.1
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:3
Exact Mass:194.094294
MonoIsotopic Mass:194.094294
Topological Polar Surface Area:38.7
Heavy Atom Count:14
Formal Charge:0
Complexity:166
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:3
Feature 3D Donor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:44
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