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117685-44-6 | Benzoic acid, 4-formyl-, 2-[2-(2-iodoethoxy)ethoxy]ethyl ester
CAS No: 117685-44-6 Catalog No: AG007QU1 MDL No:
Product Description
Catalog Number:
AG007QU1
Chemical Name:
Benzoic acid, 4-formyl-, 2-[2-(2-iodoethoxy)ethoxy]ethyl ester
CAS Number:
117685-44-6
Molecular Formula:
C14H17IO5
Molecular Weight:
392.1863
IUPAC Name:
2-[2-(2-iodoethoxy)ethoxy]ethyl 4-formylbenzoate
InChI:
InChI=1S/C14H17IO5/c15-5-6-18-7-8-19-9-10-20-14(17)13-3-1-12(11-16)2-4-13/h1-4,11H,5-10H2
InChI Key:
ZJTFOWGFGOVZIF-UHFFFAOYSA-N
SMILES:
ICCOCCOCCOC(=O)c1ccc(cc1)C=O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.012g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.189g/mol
Monoisotopic Mass:
392.012g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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