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68453-82-7 | Decanoic acid, 2-iodo-, ethyl ester
CAS No: 68453-82-7 Catalog No: AG006JR3 MDL No:
Product Description
Catalog Number:
AG006JR3
Chemical Name:
Decanoic acid, 2-iodo-, ethyl ester
CAS Number:
68453-82-7
Molecular Formula:
C12H23IO2
Molecular Weight:
326.2143
IUPAC Name:
ethyl 2-iododecanoate
InChI:
InChI=1S/C12H23IO2/c1-3-5-6-7-8-9-10-11(13)12(14)15-4-2/h11H,3-10H2,1-2H3
InChI Key:
OQHKKXKJNMZXIE-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(=O)OCC)I
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.218g/mol
Monoisotopic Mass:
326.074g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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