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189807-89-4 | Hexanedioic acid, 1-(4-iodophenyl) ester
CAS No: 189807-89-4 Catalog No: AG002DZV MDL No:
Product Description
Catalog Number:
AG002DZV
Chemical Name:
Hexanedioic acid, 1-(4-iodophenyl) ester
CAS Number:
189807-89-4
Molecular Formula:
C12H12IO4-
Molecular Weight:
347.1257
IUPAC Name:
6-(4-iodophenoxy)-6-oxohexanoate
InChI:
InChI=1S/C12H13IO4/c13-9-5-7-10(8-6-9)17-12(16)4-2-1-3-11(14)15/h5-8H,1-4H2,(H,14,15)/p-1
InChI Key:
BCOODLFMRXXVAD-UHFFFAOYSA-M
SMILES:
O=C(Oc1ccc(cc1)I)CCCCC(=O)[O-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.978g/mol
Formal Charge:
-1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.128g/mol
Monoisotopic Mass:
346.978g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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