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2059917-32-5 | (2S,5R)-2-(iodomethyl)-5-(3-methoxyphenyl)oxane
CAS No: 2059917-32-5 Catalog No: AG01BRBP MDL No:MFCD30502415
Product Description
Catalog Number:
AG01BRBP
Chemical Name:
(2S,5R)-2-(iodomethyl)-5-(3-methoxyphenyl)oxane
CAS Number:
2059917-32-5
Molecular Formula:
C13H17IO2
Molecular Weight:
332.1773
MDL Number:
MFCD30502415
IUPAC Name:
2-(iodomethyl)-5-(3-methoxyphenyl)oxane
InChI:
InChI=1S/C13H17IO2/c1-15-12-4-2-3-10(7-12)11-5-6-13(8-14)16-9-11/h2-4,7,11,13H,5-6,8-9H2,1H3
InChI Key:
JSVIJXMNKNWDOA-UHFFFAOYSA-N
SMILES:
IC[C@@H]1CC[C@@H](CO1)c1cccc(c1)OC
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.181g/mol
Monoisotopic Mass:
332.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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