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178328-41-1 | 2-Propenoic acid, 2-methyl-, 6-iodohexyl ester
CAS No: 178328-41-1 Catalog No: AG0025XQ MDL No:
Product Description
Catalog Number:
AG0025XQ
Chemical Name:
2-Propenoic acid, 2-methyl-, 6-iodohexyl ester
CAS Number:
178328-41-1
Molecular Formula:
C10H17IO2
Molecular Weight:
296.1453
IUPAC Name:
6-iodohexyl 2-methylprop-2-enoate
InChI:
InChI=1S/C10H17IO2/c1-9(2)10(12)13-8-6-4-3-5-7-11/h1,3-8H2,2H3
InChI Key:
GWBLGLJEJCRJKD-UHFFFAOYSA-N
SMILES:
ICCCCCCOC(=O)C(=C)C
Properties
Complexity:
166
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:
0
XLogP3:
4.7
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