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154565-06-7 | Hexanoic acid, 6-iodo-, 2-propenyl ester
CAS No: 154565-06-7 Catalog No: AG007XHI MDL No:
Product Description
Catalog Number:
AG007XHI
Chemical Name:
Hexanoic acid, 6-iodo-, 2-propenyl ester
CAS Number:
154565-06-7
Molecular Formula:
C9H15IO2
Molecular Weight:
282.1187
IUPAC Name:
prop-2-enyl 6-iodohexanoate
InChI:
InChI=1S/C9H15IO2/c1-2-8-12-9(11)6-4-3-5-7-10/h2H,1,3-8H2
InChI Key:
PWRGCCJKOPYIKB-UHFFFAOYSA-N
SMILES:
ICCCCCC(=O)OCC=C
Properties
Complexity:
135
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:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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