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163164-07-6 | Benzeneethanol, 4-(1,3-dioxan-2-yl)-
CAS No: 163164-07-6 Catalog No: AG001TT6 MDL No:
Product Description
Catalog Number:
AG001TT6
Chemical Name:
Benzeneethanol, 4-(1,3-dioxan-2-yl)-
CAS Number:
163164-07-6
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
2-[4-(1,3-dioxan-2-yl)phenyl]ethanol
InChI:
InChI=1S/C12H16O3/c13-7-6-10-2-4-11(5-3-10)12-14-8-1-9-15-12/h2-5,12-13H,1,6-9H2
InChI Key:
YLSPFIYPFYVVDV-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1)C1OCCCO1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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