Home Other Building Blocks tetramethyl-1,4-dioxane-2,6-dione

tetramethyl-1,4-dioxane-2,6-dione

CAS No.:
58607-24-2
Catalog Number:
AG01C1WQ
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
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Product Description
Catalog Number:
AG01C1WQ
Chemical Name:
tetramethyl-1,4-dioxane-2,6-dione
CAS Number:
58607-24-2
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD25965041
IUPAC Name:
3,3,5,5-tetramethyl-1,4-dioxane-2,6-dione
InChI:
InChI=1S/C8H12O4/c1-7(2)5(9)11-6(10)8(3,4)12-7/h1-4H3
InChI Key:
CGVYQNFYKAABLQ-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C(OC1(C)C)(C)C
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties