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2060061-81-4 | 7-(iodomethyl)-6-oxa-2-azaspiro[3.4]octane
CAS No: 2060061-81-4 Catalog No: AG01BRDW MDL No:MFCD30502489
Product Description
Catalog Number:
AG01BRDW
Chemical Name:
7-(iodomethyl)-6-oxa-2-azaspiro[3.4]octane
CAS Number:
2060061-81-4
Molecular Formula:
C7H12INO
Molecular Weight:
253.0808
MDL Number:
MFCD30502489
IUPAC Name:
7-(iodomethyl)-6-oxa-2-azaspiro[3.4]octane
InChI:
InChI=1S/C7H12INO/c8-2-6-1-7(5-10-6)3-9-4-7/h6,9H,1-5H2
InChI Key:
PAAZYRGSLAEINL-UHFFFAOYSA-N
SMILES:
ICC1OCC2(C1)CNC2
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.996g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.083g/mol
Monoisotopic Mass:
252.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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