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10108-25-5 | 9-Octadecenoic acid (9Z)-, 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl ester
CAS No: 10108-25-5 Catalog No: AG0003P2 MDL No:
Product Description
Catalog Number:
AG0003P2
Chemical Name:
9-Octadecenoic acid (9Z)-, 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl ester
CAS Number:
10108-25-5
Molecular Formula:
C26H50O6
Molecular Weight:
458.6716
IUPAC Name:
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl (Z)-octadec-9-enoate
InChI:
InChI=1S/C26H50O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(28)32-25-24-31-23-22-30-21-20-29-19-18-27/h9-10,27H,2-8,11-25H2,1H3/b10-9-
InChI Key:
YFBRYDITTBYWAL-KTKRTIGZSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)OCCOCCOCCOCCO
EC Number:
233-293-0
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
458.361g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
458.68g/mol
Monoisotopic Mass:
458.361g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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