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13746-34-4

13746-34-4 | 3,5,9-Undecatrien-2-one, 3,6,10-trimethyl-, (3E,5E)-

CAS No: 13746-34-4 Catalog No: AG0013B2 MDL No:

Product Description

Catalog Number:
AG0013B2
Chemical Name:
3,5,9-Undecatrien-2-one, 3,6,10-trimethyl-, (3E,5E)-
CAS Number:
13746-34-4
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
3,6,10-trimethylundeca-3,5,9-trien-2-one
InChI:
InChI=1S/C14H22O/c1-11(2)7-6-8-12(3)9-10-13(4)14(5)15/h7,9-10H,6,8H2,1-5H3
InChI Key:
PRMAVUPVLGOONQ-UHFFFAOYSA-N
SMILES:
C/C(=C\C=C(\C(=O)C)/C)/CCC=C(C)C
EC Number:
214-245-8

Properties

Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
XLogP3:
4.3  

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