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898777-27-0 | ETHYL 5-(3-IODOPHENYL)-5-OXOVALERATE
CAS No: 898777-27-0 Catalog No: AG006JWD MDL No:
Product Description
Catalog Number:
AG006JWD
Chemical Name:
ETHYL 5-(3-IODOPHENYL)-5-OXOVALERATE
CAS Number:
898777-27-0
Molecular Formula:
C13H15IO3
Molecular Weight:
346.1609
IUPAC Name:
ethyl 5-(3-iodophenyl)-5-oxopentanoate
InChI:
InChI=1S/C13H15IO3/c1-2-17-13(16)8-4-7-12(15)10-5-3-6-11(14)9-10/h3,5-6,9H,2,4,7-8H2,1H3
InChI Key:
AIMPCFFBRCPIFY-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1cccc(c1)I
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.007g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.164g/mol
Monoisotopic Mass:
346.007g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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