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2138023-08-0 | 5-(iodomethyl)-6-oxaspiro[3.4]octane
CAS No: 2138023-08-0 Catalog No: AG01EM12 MDL No:MFCD31558874
Product Description
Catalog Number:
AG01EM12
Chemical Name:
5-(iodomethyl)-6-oxaspiro[3.4]octane
CAS Number:
2138023-08-0
Molecular Formula:
C8H13IO
Molecular Weight:
252.0927
MDL Number:
MFCD31558874
IUPAC Name:
5-(iodomethyl)-6-oxaspiro[3.4]octane
InChI:
InChI=1S/C8H13IO/c9-6-7-8(2-1-3-8)4-5-10-7/h7H,1-6H2
InChI Key:
ODDKGNIPHNDMJY-UHFFFAOYSA-N
SMILES:
ICC1OCCC21CCC2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.001g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.095g/mol
Monoisotopic Mass:
252.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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