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211615-48-4

211615-48-4 | 2-Octenoic acid, 3-iodo-, methyl ester, (2E)-

CAS No: 211615-48-4 Catalog No: AG006Z33 MDL No:

Product Description

Catalog Number:
AG006Z33
Chemical Name:
2-Octenoic acid, 3-iodo-, methyl ester, (2E)-
CAS Number:
211615-48-4
Molecular Formula:
C9H15IO2
Molecular Weight:
282.1187
IUPAC Name:
methyl 3-iodooct-2-enoate
InChI:
InChI=1S/C9H15IO2/c1-3-4-5-6-8(10)7-9(11)12-2/h7H,3-6H2,1-2H3
InChI Key:
CHRLONQLNKNSHS-UHFFFAOYSA-N
SMILES:
CCCCC/C(=C\C(=O)OC)/I

Properties

Complexity:
164  
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:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.9  

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