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19870-49-6

19870-49-6 | 3,9-Undecadien-2-one, 6,10-dimethyl-, (3E)-

CAS No: 19870-49-6 Catalog No: AG002BPO MDL No:

Product Description

Catalog Number:
AG002BPO
Chemical Name:
3,9-Undecadien-2-one, 6,10-dimethyl-, (3E)-
CAS Number:
19870-49-6
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
6,10-dimethylundeca-3,9-dien-2-one
InChI:
InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,10,12H,5,8-9H2,1-4H3
InChI Key:
SLMWIBBJFMTGLJ-UHFFFAOYSA-N
SMILES:
CC(C/C=C/C(=O)C)CCC=C(C)C

Properties

Complexity:
219  
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:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
4  

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