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2060031-01-6 | 3-(iodomethyl)-2,7-dioxaspiro[4.4]nonane
CAS No: 2060031-01-6 Catalog No: AG01BRDX MDL No:MFCD30502490
Product Description
Catalog Number:
AG01BRDX
Chemical Name:
3-(iodomethyl)-2,7-dioxaspiro[4.4]nonane
CAS Number:
2060031-01-6
Molecular Formula:
C8H13IO2
Molecular Weight:
268.0921
MDL Number:
MFCD30502490
IUPAC Name:
3-(iodomethyl)-2,7-dioxaspiro[4.4]nonane
InChI:
InChI=1S/C8H13IO2/c9-4-7-3-8(6-11-7)1-2-10-5-8/h7H,1-6H2
InChI Key:
OABDZLZKSBQRFV-UHFFFAOYSA-N
SMILES:
ICC1OCC2(C1)COCC2
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.996g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.094g/mol
Monoisotopic Mass:
267.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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