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70969-99-2 | 1,3-Dioxolane, 2-(3-iodopropyl)-2-phenyl-
CAS No: 70969-99-2 Catalog No: AG005FJW MDL No:
Product Description
Catalog Number:
AG005FJW
Chemical Name:
1,3-Dioxolane, 2-(3-iodopropyl)-2-phenyl-
CAS Number:
70969-99-2
Molecular Formula:
C12H15IO2
Molecular Weight:
318.1508
IUPAC Name:
2-(3-iodopropyl)-2-phenyl-1,3-dioxolane
InChI:
InChI=1S/C12H15IO2/c13-8-4-7-12(14-9-10-15-12)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChI Key:
IBWZRMVEDNCJMF-UHFFFAOYSA-N
SMILES:
ICCCC1(OCCO1)c1ccccc1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.154g/mol
Monoisotopic Mass:
318.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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