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249890-65-1 | 1,4-Dioxane-2,5-dione, 3,3,6-trimethyl-
CAS No: 249890-65-1 Catalog No: AG002Q2Z MDL No:
Product Description
Catalog Number:
AG002Q2Z
Chemical Name:
1,4-Dioxane-2,5-dione, 3,3,6-trimethyl-
CAS Number:
249890-65-1
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
IUPAC Name:
3,3,6-trimethyl-1,4-dioxane-2,5-dione
InChI:
InChI=1S/C7H10O4/c1-4-5(8)11-7(2,3)6(9)10-4/h4H,1-3H3
InChI Key:
TYKJTLOUDJNYRH-UHFFFAOYSA-N
SMILES:
CC1OC(=O)C(OC1=O)(C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| 18-membered cyclic esters derived from glycolide and lactide: preparations, structures and coordination to sodium ions. | Dalton transactions (Cambridge, England : 2003) 20071114 |
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