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88481-72-5 | 1,3-Dioxane-4-methanol, 2-phenyl-5-(phenylmethyl)-
CAS No: 88481-72-5 Catalog No: AG004AFD MDL No:
Product Description
Catalog Number:
AG004AFD
Chemical Name:
1,3-Dioxane-4-methanol, 2-phenyl-5-(phenylmethyl)-
CAS Number:
88481-72-5
Molecular Formula:
C18H20O3
Molecular Weight:
284.3496
IUPAC Name:
(5-benzyl-2-phenyl-1,3-dioxan-4-yl)methanol
InChI:
InChI=1S/C18H20O3/c19-12-17-16(11-14-7-3-1-4-8-14)13-20-18(21-17)15-9-5-2-6-10-15/h1-10,16-19H,11-13H2
InChI Key:
PWWRXNHRRMABPV-UHFFFAOYSA-N
SMILES:
OCC1OC(OCC1Cc1ccccc1)c1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.355g/mol
Monoisotopic Mass:
284.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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