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86374-36-9 | Dodecanoic acid, 12-iodo-, methyl ester
CAS No: 86374-36-9 Catalog No: AG004IFM MDL No:
Product Description
Catalog Number:
AG004IFM
Chemical Name:
Dodecanoic acid, 12-iodo-, methyl ester
CAS Number:
86374-36-9
Molecular Formula:
C13H25IO2
Molecular Weight:
340.2409
IUPAC Name:
methyl 12-iodododecanoate
InChI:
InChI=1S/C13H25IO2/c1-16-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h2-12H2,1H3
InChI Key:
WZSRPBOGKHVPPC-UHFFFAOYSA-N
SMILES:
ICCCCCCCCCCCC(=O)OC
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.245g/mol
Monoisotopic Mass:
340.09g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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