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139053-48-8 | 1,3-Dioxane-5-methanol, 2-phenyl-5-[(phenylmethoxy)methyl]-
CAS No: 139053-48-8 Catalog No: AG001A2N MDL No:
Product Description
Catalog Number:
AG001A2N
Chemical Name:
1,3-Dioxane-5-methanol, 2-phenyl-5-[(phenylmethoxy)methyl]-
CAS Number:
139053-48-8
Molecular Formula:
C19H22O4
Molecular Weight:
314.3756
IUPAC Name:
[2-phenyl-5-(phenylmethoxymethyl)-1,3-dioxan-5-yl]methanol
InChI:
InChI=1S/C19H22O4/c20-12-19(13-21-11-16-7-3-1-4-8-16)14-22-18(23-15-19)17-9-5-2-6-10-17/h1-10,18,20H,11-15H2
InChI Key:
CVOUQICGLVQMOF-UHFFFAOYSA-N
SMILES:
OCC1(COCc2ccccc2)COC(OC1)c1ccccc1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.381g/mol
Monoisotopic Mass:
314.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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