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112358-24-4 | Octanal, 7-iodo-3,7-dimethyl-
CAS No: 112358-24-4 Catalog No: AG007TKI MDL No:
Product Description
Catalog Number:
AG007TKI
Chemical Name:
Octanal, 7-iodo-3,7-dimethyl-
CAS Number:
112358-24-4
Molecular Formula:
C10H19IO
Molecular Weight:
282.1617
IUPAC Name:
7-iodo-3,7-dimethyloctanal
InChI:
InChI=1S/C10H19IO/c1-9(6-8-12)5-4-7-10(2,3)11/h8-9H,4-7H2,1-3H3
InChI Key:
INWBVZYFHODOKL-UHFFFAOYSA-N
SMILES:
O=CCC(CCCC(I)(C)C)C
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.165g/mol
Monoisotopic Mass:
282.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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