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265671-96-3 | 2-Hexenoic acid, 3-iodo-2-propyl-, ethyl ester, (2Z)-
CAS No: 265671-96-3 Catalog No: AG002TQ4 MDL No:
Product Description
Catalog Number:
AG002TQ4
Chemical Name:
2-Hexenoic acid, 3-iodo-2-propyl-, ethyl ester, (2Z)-
CAS Number:
265671-96-3
Molecular Formula:
C11H19IO2
Molecular Weight:
310.1718
IUPAC Name:
ethyl 3-iodo-2-propylhex-2-enoate
InChI:
InChI=1S/C11H19IO2/c1-4-7-9(10(12)8-5-2)11(13)14-6-3/h4-8H2,1-3H3
InChI Key:
OZBWGGRFXIKQKD-UHFFFAOYSA-N
SMILES:
CCC/C(=C(\CCC)/I)/C(=O)OCC
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.175g/mol
Monoisotopic Mass:
310.043g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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