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89238-14-2 | 2-Octanone, 4,4,6-trimethyl-
CAS No: 89238-14-2 Catalog No: AG0044FQ MDL No:
Product Description
Catalog Number:
AG0044FQ
Chemical Name:
2-Octanone, 4,4,6-trimethyl-
CAS Number:
89238-14-2
Molecular Formula:
C11H22O
Molecular Weight:
170.2918
IUPAC Name:
4,4,6-trimethyloctan-2-one
InChI:
InChI=1S/C11H22O/c1-6-9(2)7-11(4,5)8-10(3)12/h9H,6-8H2,1-5H3
InChI Key:
SHTIZKQPLYTQBT-UHFFFAOYSA-N
SMILES:
CCC(CC(CC(=O)C)(C)C)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.167g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.296g/mol
Monoisotopic Mass:
170.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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