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898777-39-4 | ETHYL 4-(4-IODOPHENYL)-4-OXOBUTYRATE
CAS No: 898777-39-4 Catalog No: AG006JWC MDL No:
Product Description
Catalog Number:
AG006JWC
Chemical Name:
ETHYL 4-(4-IODOPHENYL)-4-OXOBUTYRATE
CAS Number:
898777-39-4
Molecular Formula:
C12H13IO3
Molecular Weight:
332.1343
IUPAC Name:
ethyl 4-(4-iodophenyl)-4-oxobutanoate
InChI:
InChI=1S/C12H13IO3/c1-2-16-12(15)8-7-11(14)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3
InChI Key:
ULPBPONDEDPQNX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1ccc(cc1)I
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.991g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.137g/mol
Monoisotopic Mass:
331.991g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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