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27710-66-3 | Hexadecenoic acid, ethyl ester
CAS No: 27710-66-3 Catalog No: AG002UJO MDL No:
Product Description
Catalog Number:
AG002UJO
Chemical Name:
Hexadecenoic acid, ethyl ester
CAS Number:
27710-66-3
Molecular Formula:
C18H34O2
Molecular Weight:
282.4614
IUPAC Name:
ethyl hexadec-2-enoate
InChI:
InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h16-17H,3-15H2,1-2H3
InChI Key:
WKKVQOAYYIWUKZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC=CC(=O)OCC
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.256g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.468g/mol
Monoisotopic Mass:
282.256g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.7
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