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97827-17-3 | 5-Iodomethyl-2,2-dimethyl-[1,3]dioxane
CAS No: 97827-17-3 Catalog No: AG00JRVM MDL No:
Product Description
Catalog Number:
AG00JRVM
Chemical Name:
5-Iodomethyl-2,2-dimethyl-[1,3]dioxane
CAS Number:
97827-17-3
Molecular Formula:
C7H13IO2
Molecular Weight:
256.0814
IUPAC Name:
5-(iodomethyl)-2,2-dimethyl-1,3-dioxane
InChI:
InChI=1S/C7H13IO2/c1-7(2)9-4-6(3-8)5-10-7/h6H,3-5H2,1-2H3
InChI Key:
ZMABXOQAFQJFHK-UHFFFAOYSA-N
SMILES:
ICC1COC(OC1)(C)C
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.996g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.083g/mol
Monoisotopic Mass:
255.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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