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823180-27-4 | Heptanoic acid, 7,7-diiodo-, ethyl ester
CAS No: 823180-27-4 Catalog No: AG005FVN MDL No:
Product Description
Catalog Number:
AG005FVN
Chemical Name:
Heptanoic acid, 7,7-diiodo-, ethyl ester
CAS Number:
823180-27-4
Molecular Formula:
C9H16I2O2
Molecular Weight:
410.0311
IUPAC Name:
ethyl 7,7-diiodoheptanoate
InChI:
InChI=1S/C9H16I2O2/c1-2-13-9(12)7-5-3-4-6-8(10)11/h8H,2-7H2,1H3
InChI Key:
HXTMDXLDMADONV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCC(I)I
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.924g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.034g/mol
Monoisotopic Mass:
409.924g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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