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100018-96-0 | Octadecanoic acid, iodo-, ethyl ester (9CI)
CAS No: 100018-96-0 Catalog No: AG0000BA MDL No:
Product Description
Catalog Number:
AG0000BA
Chemical Name:
Octadecanoic acid, iodo-, ethyl ester (9CI)
CAS Number:
100018-96-0
Molecular Formula:
C20H39IO2
Molecular Weight:
438.4269
IUPAC Name:
ethyl 2-iodooctadecanoate
InChI:
InChI=1S/C20H39IO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23-4-2/h19H,3-18H2,1-2H3
InChI Key:
XYSWCJVTCOLTLI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(C(=O)OCC)I
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.199g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.434g/mol
Monoisotopic Mass:
438.199g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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