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127205-14-5 | 1,3-Dioxane-5-ethanol, 5-hydroxy-2,2-dimethyl-
CAS No: 127205-14-5 Catalog No: AG000WRJ MDL No:
Product Description
Catalog Number:
AG000WRJ
Chemical Name:
1,3-Dioxane-5-ethanol, 5-hydroxy-2,2-dimethyl-
CAS Number:
127205-14-5
Molecular Formula:
C8H16O4
Molecular Weight:
176.2102
IUPAC Name:
5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol
InChI:
InChI=1S/C8H16O4/c1-7(2)11-5-8(10,3-4-9)6-12-7/h9-10H,3-6H2,1-2H3
InChI Key:
WSYASTJBWWUIEU-UHFFFAOYSA-N
SMILES:
OCCC1(O)COC(OC1)(C)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.212g/mol
Monoisotopic Mass:
176.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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