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98202-50-7 | 2-Octenoic acid, 8-iodo-, ethyl ester, (E)-
CAS No: 98202-50-7 Catalog No: AG006921 MDL No:
Product Description
Catalog Number:
AG006921
Chemical Name:
2-Octenoic acid, 8-iodo-, ethyl ester, (E)-
CAS Number:
98202-50-7
Molecular Formula:
C10H17IO2
Molecular Weight:
296.1453
IUPAC Name:
ethyl 8-iodooct-2-enoate
InChI:
InChI=1S/C10H17IO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h6,8H,2-5,7,9H2,1H3
InChI Key:
OONWKFXECPEVPD-UHFFFAOYSA-N
SMILES:
ICCCCC/C=C/C(=O)OCC
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.027g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.148g/mol
Monoisotopic Mass:
296.027g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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