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2059971-93-4 | 6-(iodomethyl)-5-oxaspiro[2.4]heptane
CAS No: 2059971-93-4 Catalog No: AG01BRDH MDL No:MFCD30502474
Product Description
Catalog Number:
AG01BRDH
Chemical Name:
6-(iodomethyl)-5-oxaspiro[2.4]heptane
CAS Number:
2059971-93-4
Molecular Formula:
C7H11IO
Molecular Weight:
238.0661
MDL Number:
MFCD30502474
IUPAC Name:
6-(iodomethyl)-5-oxaspiro[2.4]heptane
InChI:
InChI=1S/C7H11IO/c8-4-6-3-7(1-2-7)5-9-6/h6H,1-5H2
InChI Key:
BXKPLCBMQBFODT-UHFFFAOYSA-N
SMILES:
ICC1OCC2(C1)CC2
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.985g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.068g/mol
Monoisotopic Mass:
237.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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