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898777-21-4 | ETHYL 8-(2-IODOPHENYL)-8-OXOOCTANOATE
CAS No: 898777-21-4 Catalog No: AG006JWF MDL No:
Product Description
Catalog Number:
AG006JWF
Chemical Name:
ETHYL 8-(2-IODOPHENYL)-8-OXOOCTANOATE
CAS Number:
898777-21-4
Molecular Formula:
C16H21IO3
Molecular Weight:
388.2406
IUPAC Name:
ethyl 8-(2-iodophenyl)-8-oxooctanoate
InChI:
InChI=1S/C16H21IO3/c1-2-20-16(19)12-6-4-3-5-11-15(18)13-9-7-8-10-14(13)17/h7-10H,2-6,11-12H2,1H3
InChI Key:
JNVASPNEMFBGMC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)c1ccccc1I
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.245g/mol
Monoisotopic Mass:
388.054g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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