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98560-11-3 | 2H-Pyran-2-one, tetrahydro-6-(3-iodopropyl)-
CAS No: 98560-11-3 Catalog No: AG0067XV MDL No:
Product Description
Catalog Number:
AG0067XV
Chemical Name:
2H-Pyran-2-one, tetrahydro-6-(3-iodopropyl)-
CAS Number:
98560-11-3
Molecular Formula:
C8H13IO2
Molecular Weight:
268.0921
IUPAC Name:
6-(3-iodopropyl)oxan-2-one
InChI:
InChI=1S/C8H13IO2/c9-6-2-4-7-3-1-5-8(10)11-7/h7H,1-6H2
InChI Key:
DABSLCWBFXGLKV-UHFFFAOYSA-N
SMILES:
ICCCC1CCCC(=O)O1
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.996g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.094g/mol
Monoisotopic Mass:
267.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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