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113972-37-5 | Nonatrienoic acid, octadienyl ester (9CI)
CAS No: 113972-37-5 Catalog No: AG000A8B MDL No:
Product Description
Catalog Number:
AG000A8B
Chemical Name:
Nonatrienoic acid, octadienyl ester (9CI)
CAS Number:
113972-37-5
Molecular Formula:
C17H24O2
Molecular Weight:
260.3713
IUPAC Name:
octa-1,3-dienyl nona-2,4,6-trienoate
InChI:
InChI=1S/C17H24O2/c1-3-5-7-9-11-13-15-17(18)19-16-14-12-10-8-6-4-2/h5,7,9-16H,3-4,6,8H2,1-2H3
InChI Key:
NGWQRXBHIJMWRU-UHFFFAOYSA-N
SMILES:
CCCCC=CC=COC(=O)C=CC=CC=CCC
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.377g/mol
Monoisotopic Mass:
260.178g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
5
XLogP3:
5.5
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