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898777-33-8 | ETHYL 7-(3-IODOPHENYL)-7-OXOHEPTANOATE
CAS No: 898777-33-8 Catalog No: AG00GZBP MDL No:
Product Description
Catalog Number:
AG00GZBP
Chemical Name:
ETHYL 7-(3-IODOPHENYL)-7-OXOHEPTANOATE
CAS Number:
898777-33-8
Molecular Formula:
C15H19IO3
Molecular Weight:
374.2140
IUPAC Name:
ethyl 7-(3-iodophenyl)-7-oxoheptanoate
InChI:
InChI=1S/C15H19IO3/c1-2-19-15(18)10-5-3-4-9-14(17)12-7-6-8-13(16)11-12/h6-8,11H,2-5,9-10H2,1H3
InChI Key:
GLLALNJEZNPEMR-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCC(=O)c1cccc(c1)I
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.038g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.218g/mol
Monoisotopic Mass:
374.038g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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