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19781-14-7 | 2-Octanone, 3,5-dimethyl-
CAS No: 19781-14-7 Catalog No: AG002B2U MDL No:
Product Description
Catalog Number:
AG002B2U
Chemical Name:
2-Octanone, 3,5-dimethyl-
CAS Number:
19781-14-7
Molecular Formula:
C10H20O
Molecular Weight:
156.2652
IUPAC Name:
3,5-dimethyloctan-2-one
InChI:
InChI=1S/C10H20O/c1-5-6-8(2)7-9(3)10(4)11/h8-9H,5-7H2,1-4H3
InChI Key:
HSMZFNPREAWEOC-UHFFFAOYSA-N
SMILES:
CCCC(CC(C(=O)C)C)C
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.151g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.269g/mol
Monoisotopic Mass:
156.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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