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68228-05-7 | 6,10-DIMETHYLUNDECADIEN-2-ONE
CAS No: 68228-05-7 Catalog No: AG005LOW MDL No:
Product Description
Catalog Number:
AG005LOW
Chemical Name:
6,10-DIMETHYLUNDECADIEN-2-ONE
CAS Number:
68228-05-7
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
6,10-dimethylundeca-5,9-dien-2-one
InChI:
InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3
InChI Key:
HNZUNIKWNYHEJJ-UHFFFAOYSA-N
SMILES:
CC(CCCC(=CC=CC(=O)C)C)C
FEMA Number:
3542
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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