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898777-15-6 | ETHYL 6-(2-IODOPHENYL)-6-OXOHEXANOATE
CAS No: 898777-15-6 Catalog No: AG006JWG MDL No:
Product Description
Catalog Number:
AG006JWG
Chemical Name:
ETHYL 6-(2-IODOPHENYL)-6-OXOHEXANOATE
CAS Number:
898777-15-6
Molecular Formula:
C14H17IO3
Molecular Weight:
360.1875
IUPAC Name:
ethyl 6-(2-iodophenyl)-6-oxohexanoate
InChI:
InChI=1S/C14H17IO3/c1-2-18-14(17)10-6-5-9-13(16)11-7-3-4-8-12(11)15/h3-4,7-8H,2,5-6,9-10H2,1H3
InChI Key:
PBAMPYGSSRIGPA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC(=O)c1ccccc1I
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.022g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.191g/mol
Monoisotopic Mass:
360.022g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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