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2059939-69-2 | 6-(iodomethyl)-1-methyl-5-oxaspiro[2.4]heptane
CAS No: 2059939-69-2 Catalog No: AG01BRDN MDL No:MFCD30502480
Product Description
Catalog Number:
AG01BRDN
Chemical Name:
6-(iodomethyl)-1-methyl-5-oxaspiro[2.4]heptane
CAS Number:
2059939-69-2
Molecular Formula:
C8H13IO
Molecular Weight:
252.0927
MDL Number:
MFCD30502480
IUPAC Name:
6-(iodomethyl)-2-methyl-5-oxaspiro[2.4]heptane
InChI:
InChI=1S/C8H13IO/c1-6-2-8(6)3-7(4-9)10-5-8/h6-7H,2-5H2,1H3
InChI Key:
FKELUAJAUDDRLP-UHFFFAOYSA-N
SMILES:
CC1CC21CC(OC2)CI
Properties
Complexity:
148
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:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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