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89682-49-5 | 3,4,7-Tridecatrienoic acid, ethyl ester, (Z)-
CAS No: 89682-49-5 Catalog No: AG0043H4 MDL No:
Product Description
Catalog Number:
AG0043H4
Chemical Name:
3,4,7-Tridecatrienoic acid, ethyl ester, (Z)-
CAS Number:
89682-49-5
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
IUPAC Name:
ethyl trideca-3,4,7-trienoate
InChI:
InChI=1S/C15H24O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h8-9,11,13H,3-7,10,14H2,1-2H3
InChI Key:
CICDTYOTDFDWSJ-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\CC=C=CCC(=O)OCC
Properties
Complexity:
271
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.355g/mol
Monoisotopic Mass:
236.178g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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