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23147-57-1 | 1,4-Dioxane-2,5-diol, 2,3,5,6-tetramethyl-
CAS No: 23147-57-1 Catalog No: AG002MDA MDL No:MFCD00038696
Product Description
Catalog Number:
AG002MDA
Chemical Name:
1,4-Dioxane-2,5-diol, 2,3,5,6-tetramethyl-
CAS Number:
23147-57-1
Molecular Formula:
C8H16O4
Molecular Weight:
176.2102
MDL Number:
MFCD00038696
IUPAC Name:
2,3,5,6-tetramethyl-1,4-dioxane-2,5-diol
InChI:
InChI=1S/C8H16O4/c1-5-7(3,9)12-6(2)8(4,10)11-5/h5-6,9-10H,1-4H3
InChI Key:
DFMGATPNJMFDCR-UHFFFAOYSA-N
SMILES:
CC1OC(C)(O)C(OC1(C)O)C
EC Number:
245-457-9
Properties
Complexity:
164
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:
0
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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