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2059912-17-1 | (2R,4R)-2-(iodomethyl)-4-(4-methylphenyl)oxolane
CAS No: 2059912-17-1 Catalog No: AG01BR8C MDL No:MFCD30502294
Product Description
Catalog Number:
AG01BR8C
Chemical Name:
(2R,4R)-2-(iodomethyl)-4-(4-methylphenyl)oxolane
CAS Number:
2059912-17-1
Molecular Formula:
C12H15IO
Molecular Weight:
302.1514
MDL Number:
MFCD30502294
IUPAC Name:
2-(iodomethyl)-4-(4-methylphenyl)oxolane
InChI:
InChI=1S/C12H15IO/c1-9-2-4-10(5-3-9)11-6-12(7-13)14-8-11/h2-5,11-12H,6-8H2,1H3
InChI Key:
LLQCYGMNTZFZBC-UHFFFAOYSA-N
SMILES:
IC[C@@H]1OC[C@H](C1)c1ccc(cc1)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.155g/mol
Monoisotopic Mass:
302.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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