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115942-54-6 | 2H-Pyran-2,6(3H)-dione, dihydro-3,3,4,4,5,5-hexamethyl-
CAS No: 115942-54-6 Catalog No: AG000H4T MDL No:
Product Description
Catalog Number:
AG000H4T
Chemical Name:
2H-Pyran-2,6(3H)-dione, dihydro-3,3,4,4,5,5-hexamethyl-
CAS Number:
115942-54-6
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
3,3,4,4,5,5-hexamethyloxane-2,6-dione
InChI:
InChI=1S/C11H18O3/c1-9(2)7(12)14-8(13)10(3,4)11(9,5)6/h1-6H3
InChI Key:
VZKSNWYVJVSSNW-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C(C(C1(C)C)(C)C)(C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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