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113693-43-9 | Hexadecanoic acid, ethyl ester, (?Z,?Z,?Z)-
CAS No: 113693-43-9 Catalog No: AG0009CH MDL No:
Product Description
Catalog Number:
AG0009CH
Chemical Name:
Hexadecanoic acid, ethyl ester, (?Z,?Z,?Z)-
CAS Number:
113693-43-9
Molecular Formula:
C18H30O2
Molecular Weight:
278.4296
IUPAC Name:
ethyl hexadeca-2,4,6-trienoate
InChI:
InChI=1S/C18H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h12-17H,3-11H2,1-2H3
InChI Key:
VBOWIMINMHXKRB-UHFFFAOYSA-N
SMILES:
CCCCCCCCC/C=C\C=C/C=C\C(=O)OCC
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.225g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.436g/mol
Monoisotopic Mass:
278.225g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
6.8
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