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823180-09-2 | 6-Heptenoic acid, 7,7-diiodo-, ethyl ester
CAS No: 823180-09-2 Catalog No: AG004ZK3 MDL No:
Product Description
Catalog Number:
AG004ZK3
Chemical Name:
6-Heptenoic acid, 7,7-diiodo-, ethyl ester
CAS Number:
823180-09-2
Molecular Formula:
C9H14I2O2
Molecular Weight:
408.0152
IUPAC Name:
ethyl 7,7-diiodohept-6-enoate
InChI:
InChI=1S/C9H14I2O2/c1-2-13-9(12)7-5-3-4-6-8(10)11/h6H,2-5,7H2,1H3
InChI Key:
FSRRHJRHHFXMIQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC=C(I)I
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.908g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.018g/mol
Monoisotopic Mass:
407.908g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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