Home Other Building Blocks 2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione

2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione

CAS No.:
62018-49-9
Catalog Number:
AG01A1LE
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
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Product Description
Catalog Number:
AG01A1LE
Chemical Name:
2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
CAS Number:
62018-49-9
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
MDL Number:
MFCD02815344
IUPAC Name:
2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C9H14O4/c1-8(2,3)9(4)12-6(10)5-7(11)13-9/h5H2,1-4H3
InChI Key:
COOZARBOMFFIFW-UHFFFAOYSA-N
SMILES:
CC(C1(C)OC(=O)CC(=O)O1)(C)C
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties