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88931-74-2 | 2-Octenoic acid, 8-iodo-, 1,1-dimethylethyl ester
CAS No: 88931-74-2 Catalog No: AG008A1P MDL No:
Product Description
Catalog Number:
AG008A1P
Chemical Name:
2-Octenoic acid, 8-iodo-, 1,1-dimethylethyl ester
CAS Number:
88931-74-2
Molecular Formula:
C12H21IO2
Molecular Weight:
324.1984
IUPAC Name:
tert-butyl 8-iodooct-2-enoate
InChI:
InChI=1S/C12H21IO2/c1-12(2,3)15-11(14)9-7-5-4-6-8-10-13/h7,9H,4-6,8,10H2,1-3H3
InChI Key:
ZTAGKBSDXHODKT-UHFFFAOYSA-N
SMILES:
ICCCCCC=CC(=O)OC(C)(C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.202g/mol
Monoisotopic Mass:
324.059g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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