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68039-29-2

68039-29-2 | (E)-Geranyl nonan-1-oate

CAS No: 68039-29-2 Catalog No: AG006GE2 MDL No:

Product Description

Catalog Number:
AG006GE2
Chemical Name:
(E)-Geranyl nonan-1-oate
CAS Number:
68039-29-2
Molecular Formula:
C19H34O2
Molecular Weight:
294.4721
IUPAC Name:
[(2E)-3,7-dimethylocta-2,6-dienyl] nonanoate
InChI:
InChI=1S/C19H34O2/c1-5-6-7-8-9-10-14-19(20)21-16-15-18(4)13-11-12-17(2)3/h12,15H,5-11,13-14,16H2,1-4H3/b18-15+
InChI Key:
WVOMTKJRDMPOCF-OBGWFSINSA-N
SMILES:
CCCCCCCCC(=O)OC/C=C(/CCC=C(C)C)\C
EC Number:
268-247-9

Properties

Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
294.256g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.479g/mol
Monoisotopic Mass:
294.256g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7  

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