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94166-55-9 | ETHYL 10,11-DIIODOUNDEC-10-ENOATE
CAS No: 94166-55-9 Catalog No: AG006PVQ MDL No:
Product Description
Catalog Number:
AG006PVQ
Chemical Name:
ETHYL 10,11-DIIODOUNDEC-10-ENOATE
CAS Number:
94166-55-9
Molecular Formula:
C13H22I2O2
Molecular Weight:
464.1215
IUPAC Name:
ethyl (Z)-10,11-diiodoundec-10-enoate
InChI:
InChI=1S/C13H22I2O2/c1-2-17-13(16)10-8-6-4-3-5-7-9-12(15)11-14/h11H,2-10H2,1H3/b12-11-
InChI Key:
IUWRZBSPIGLBRX-QXMHVHEDSA-N
SMILES:
CCOC(=O)CCCCCCCCC(=CI)I
EC Number:
303-351-0
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
463.971g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.126g/mol
Monoisotopic Mass:
463.971g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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