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163164-08-7 | Benzenemethanol, 3-(1,3-dioxan-2-yl)-
CAS No: 163164-08-7 Catalog No: AG001TT5 MDL No:
Product Description
Catalog Number:
AG001TT5
Chemical Name:
Benzenemethanol, 3-(1,3-dioxan-2-yl)-
CAS Number:
163164-08-7
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
[3-(1,3-dioxan-2-yl)phenyl]methanol
InChI:
InChI=1S/C11H14O3/c12-8-9-3-1-4-10(7-9)11-13-5-2-6-14-11/h1,3-4,7,11-12H,2,5-6,8H2
InChI Key:
HORPKZDGZYMCSW-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)C1OCCCO1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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