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151024-14-5 | 1,3-Dioxane-4-methanol, 2-(4-methoxyphenyl)-, (2R,4R)-
CAS No: 151024-14-5 Catalog No: AG001N16 MDL No:
Product Description
Catalog Number:
AG001N16
Chemical Name:
1,3-Dioxane-4-methanol, 2-(4-methoxyphenyl)-, (2R,4R)-
CAS Number:
151024-14-5
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methanol
InChI:
InChI=1S/C12H16O4/c1-14-10-4-2-9(3-5-10)12-15-7-6-11(8-13)16-12/h2-5,11-13H,6-8H2,1H3/t11-,12-/m1/s1
InChI Key:
WWQMKMCPEHHJGY-VXGBXAGGSA-N
SMILES:
OC[C@H]1CCO[C@H](O1)c1ccc(cc1)OC
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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