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2059911-98-5 | (2S,5R)-2-(iodomethyl)-5-(3-methylphenyl)oxane
CAS No: 2059911-98-5 Catalog No: AG01BRBX MDL No:MFCD30502423
Product Description
Catalog Number:
AG01BRBX
Chemical Name:
(2S,5R)-2-(iodomethyl)-5-(3-methylphenyl)oxane
CAS Number:
2059911-98-5
Molecular Formula:
C13H17IO
Molecular Weight:
316.1780
MDL Number:
MFCD30502423
IUPAC Name:
2-(iodomethyl)-5-(3-methylphenyl)oxane
InChI:
InChI=1S/C13H17IO/c1-10-3-2-4-11(7-10)12-5-6-13(8-14)15-9-12/h2-4,7,12-13H,5-6,8-9H2,1H3
InChI Key:
HWKARVUUDZDBLY-UHFFFAOYSA-N
SMILES:
IC[C@@H]1CC[C@@H](CO1)c1cccc(c1)C
Properties
Complexity:
195
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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