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2059913-62-9 | (2S,5R)-5-(3,4-dimethoxyphenyl)-2-(iodomethyl)oxane
CAS No: 2059913-62-9 Catalog No: AG01BRBL MDL No:MFCD30502411
Product Description
Catalog Number:
AG01BRBL
Chemical Name:
(2S,5R)-5-(3,4-dimethoxyphenyl)-2-(iodomethyl)oxane
CAS Number:
2059913-62-9
Molecular Formula:
C14H19IO3
Molecular Weight:
362.2033
MDL Number:
MFCD30502411
IUPAC Name:
5-(3,4-dimethoxyphenyl)-2-(iodomethyl)oxane
InChI:
InChI=1S/C14H19IO3/c1-16-13-6-4-10(7-14(13)17-2)11-3-5-12(8-15)18-9-11/h4,6-7,11-12H,3,5,8-9H2,1-2H3
InChI Key:
HHZZABRXVNAUDI-UHFFFAOYSA-N
SMILES:
IC[C@@H]1CC[C@@H](CO1)c1ccc(c(c1)OC)OC
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.207g/mol
Monoisotopic Mass:
362.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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