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851527-35-0 | 2-[2-(4-Iodo-phenyl)-2-oxo-ethyl]-malonic acid Diethyl ester
CAS No: 851527-35-0 Catalog No: AG00G92H MDL No:
Product Description
Catalog Number:
AG00G92H
Chemical Name:
2-[2-(4-Iodo-phenyl)-2-oxo-ethyl]-malonic acid Diethyl ester
CAS Number:
851527-35-0
IUPAC Name:
diethyl 2-[2-(4-iodophenyl)-2-oxoethyl]propanedioate
InChI:
InChI=1S/C15H17IO5/c1-3-20-14(18)12(15(19)21-4-2)9-13(17)10-5-7-11(16)8-6-10/h5-8,12H,3-4,9H2,1-2H3
InChI Key:
VGFZTNHWYHBLGE-UHFFFAOYSA-N
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.012g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.2g/mol
Monoisotopic Mass:
404.012g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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