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115860-21-4 | Propanedioic acid, 2-[2-(2-iodophenyl)ethyl]-, 1,3-diethyl ester
CAS No: 115860-21-4 Catalog No: AG000GZS MDL No:
Product Description
Catalog Number:
AG000GZS
Chemical Name:
Propanedioic acid, 2-[2-(2-iodophenyl)ethyl]-, 1,3-diethyl ester
CAS Number:
115860-21-4
Molecular Formula:
C15H19IO4
Molecular Weight:
390.2134
IUPAC Name:
diethyl 2-[2-(2-iodophenyl)ethyl]propanedioate
InChI:
InChI=1S/C15H19IO4/c1-3-19-14(17)12(15(18)20-4-2)10-9-11-7-5-6-8-13(11)16/h5-8,12H,3-4,9-10H2,1-2H3
InChI Key:
UDEAKNVKSVVCGL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)CCc1ccccc1I
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.033g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.217g/mol
Monoisotopic Mass:
390.033g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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