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98202-45-0 | 2-Heptenoic acid, 7-iodo-, ethyl ester, (E)-
CAS No: 98202-45-0 Catalog No: AG006922 MDL No:
Product Description
Catalog Number:
AG006922
Chemical Name:
2-Heptenoic acid, 7-iodo-, ethyl ester, (E)-
CAS Number:
98202-45-0
Molecular Formula:
C9H15IO2
Molecular Weight:
282.1187
IUPAC Name:
ethyl 7-iodohept-2-enoate
InChI:
InChI=1S/C9H15IO2/c1-2-12-9(11)7-5-3-4-6-8-10/h5,7H,2-4,6,8H2,1H3
InChI Key:
YZGIKRBCYHPAAL-UHFFFAOYSA-N
SMILES:
ICCCC/C=C/C(=O)OCC
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.012g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.121g/mol
Monoisotopic Mass:
282.012g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Concise asymmetric synthesis of (-)-sparteine. | Chemical communications (Cambridge, England) 20040821 |
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