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2059912-42-2 | (2S,4R)-4-(3,4-dimethoxyphenyl)-2-(iodomethyl)oxolane
CAS No: 2059912-42-2 Catalog No: AG01BR8H MDL No:MFCD30502299
Product Description
Catalog Number:
AG01BR8H
Chemical Name:
(2S,4R)-4-(3,4-dimethoxyphenyl)-2-(iodomethyl)oxolane
CAS Number:
2059912-42-2
Molecular Formula:
C13H17IO3
Molecular Weight:
348.1767
MDL Number:
MFCD30502299
IUPAC Name:
4-(3,4-dimethoxyphenyl)-2-(iodomethyl)oxolane
InChI:
InChI=1S/C13H17IO3/c1-15-12-4-3-9(6-13(12)16-2)10-5-11(7-14)17-8-10/h3-4,6,10-11H,5,7-8H2,1-2H3
InChI Key:
QYYRUAJTLBZELG-UHFFFAOYSA-N
SMILES:
IC[C@H]1OC[C@H](C1)c1ccc(c(c1)OC)OC
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.022g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.18g/mol
Monoisotopic Mass:
348.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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