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2138296-01-0 | 1-(iodomethyl)-2,8-dioxaspiro[4.5]decan-3-one
CAS No: 2138296-01-0 Catalog No: AG01ELZ5 MDL No:MFCD31435007
Product Description
Catalog Number:
AG01ELZ5
Chemical Name:
1-(iodomethyl)-2,8-dioxaspiro[4.5]decan-3-one
CAS Number:
2138296-01-0
Molecular Formula:
C9H13IO3
Molecular Weight:
296.1022
MDL Number:
MFCD31435007
IUPAC Name:
1-(iodomethyl)-2,8-dioxaspiro[4.5]decan-3-one
InChI:
InChI=1S/C9H13IO3/c10-6-7-9(5-8(11)13-7)1-3-12-4-2-9/h7H,1-6H2
InChI Key:
MWPRICXBJXQRLW-UHFFFAOYSA-N
SMILES:
ICC1OC(=O)CC21CCOCC2
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.991g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.104g/mol
Monoisotopic Mass:
295.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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