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88147-28-8 | Cyclopentaneheptanoic acid, 2-iodo-5-oxo-, ethyl ester
CAS No: 88147-28-8 Catalog No: AG004GCH MDL No:
Product Description
Catalog Number:
AG004GCH
Chemical Name:
Cyclopentaneheptanoic acid, 2-iodo-5-oxo-, ethyl ester
CAS Number:
88147-28-8
Molecular Formula:
C14H23IO3
Molecular Weight:
366.2351
IUPAC Name:
ethyl 7-(2-iodo-5-oxocyclopentyl)heptanoate
InChI:
InChI=1S/C14H23IO3/c1-2-18-14(17)8-6-4-3-5-7-11-12(15)9-10-13(11)16/h11-12H,2-10H2,1H3
InChI Key:
GJWWOOCQXKCVFM-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC1C(I)CCC1=O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.239g/mol
Monoisotopic Mass:
366.069g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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