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3663-46-5 | 5-Hydroxymethyl-2,2,5-trimethyl-1,3-dioxane
CAS No: 3663-46-5 Catalog No: AG003MSR MDL No:
Product Description
Catalog Number:
AG003MSR
Chemical Name:
5-Hydroxymethyl-2,2,5-trimethyl-1,3-dioxane
CAS Number:
3663-46-5
IUPAC Name:
(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol
InChI:
InChI=1S/C8H16O3/c1-7(2)10-5-8(3,4-9)6-11-7/h9H,4-6H2,1-3H3
InChI Key:
MBENEXSAQJBPKP-UHFFFAOYSA-N
NSC Number:
650610
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.213g/mol
Monoisotopic Mass:
160.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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