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115430-92-7 | 1,3-Dioxane-5-ethanol
CAS No: 115430-92-7 Catalog No: AG000FZZ MDL No:
Product Description
Catalog Number:
AG000FZZ
Chemical Name:
1,3-Dioxane-5-ethanol
CAS Number:
115430-92-7
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
2-(1,3-dioxan-5-yl)ethanol
InChI:
InChI=1S/C6H12O3/c7-2-1-6-3-8-5-9-4-6/h6-7H,1-5H2
InChI Key:
WYBPZWIGVHWSIG-UHFFFAOYSA-N
SMILES:
OCCC1COCOC1
Properties
Complexity:
68.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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