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130518-93-3 | 2,5,8-Nonanetrione, 3,3,7,7-tetramethyl-
CAS No: 130518-93-3 Catalog No: AG000UJO MDL No:
Product Description
Catalog Number:
AG000UJO
Chemical Name:
2,5,8-Nonanetrione, 3,3,7,7-tetramethyl-
CAS Number:
130518-93-3
Molecular Formula:
C13H22O3
Molecular Weight:
226.3120
IUPAC Name:
3,3,7,7-tetramethylnonane-2,5,8-trione
InChI:
InChI=1S/C13H22O3/c1-9(14)12(3,4)7-11(16)8-13(5,6)10(2)15/h7-8H2,1-6H3
InChI Key:
BUTGBDHHXCAQBE-UHFFFAOYSA-N
SMILES:
O=C(CC(C(=O)C)(C)C)CC(C(=O)C)(C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.316g/mol
Monoisotopic Mass:
226.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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