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402715-77-9 | 4-(iodomethyl)-1,3-dioxane
CAS No: 402715-77-9 Catalog No: AG01AHFB MDL No:MFCD18838681
Product Description
Catalog Number:
AG01AHFB
Chemical Name:
4-(iodomethyl)-1,3-dioxane
CAS Number:
402715-77-9
Molecular Formula:
C5H9IO2
Molecular Weight:
228.0282
MDL Number:
MFCD18838681
IUPAC Name:
4-(iodomethyl)-1,3-dioxane
InChI:
InChI=1S/C5H9IO2/c6-3-5-1-2-7-4-8-5/h5H,1-4H2
InChI Key:
GYIGHSHTOHPLOL-UHFFFAOYSA-N
SMILES:
ICC1CCOCO1
Properties
Complexity:
67.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.965g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.029g/mol
Monoisotopic Mass:
227.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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