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2059917-56-3 | (2S,5R)-2-(iodomethyl)-5-(4-methylphenyl)oxane
CAS No: 2059917-56-3 Catalog No: AG01BRBU MDL No:MFCD30502420
Product Description
Catalog Number:
AG01BRBU
Chemical Name:
(2S,5R)-2-(iodomethyl)-5-(4-methylphenyl)oxane
CAS Number:
2059917-56-3
Molecular Formula:
C13H17IO
Molecular Weight:
316.1780
MDL Number:
MFCD30502420
IUPAC Name:
2-(iodomethyl)-5-(4-methylphenyl)oxane
InChI:
InChI=1S/C13H17IO/c1-10-2-4-11(5-3-10)12-6-7-13(8-14)15-9-12/h2-5,12-13H,6-9H2,1H3
InChI Key:
BOLZPBOPPAYIFL-UHFFFAOYSA-N
SMILES:
IC[C@@H]1CC[C@@H](CO1)c1ccc(cc1)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.182g/mol
Monoisotopic Mass:
316.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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