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76140-13-1 | 4-iodo-6-oxabicyclo[3.2.1]octan-7-one
CAS No: 76140-13-1 Catalog No: AG00G7MA MDL No:MFCD00604194
Product Description
Catalog Number:
AG00G7MA
Chemical Name:
4-iodo-6-oxabicyclo[3.2.1]octan-7-one
CAS Number:
76140-13-1
Molecular Formula:
C7H9IO2
Molecular Weight:
252.0496
MDL Number:
MFCD00604194
IUPAC Name:
4-iodo-6-oxabicyclo[3.2.1]octan-7-one
InChI:
InChI=1S/C7H9IO2/c8-5-2-1-4-3-6(5)10-7(4)9/h4-6H,1-3H2
InChI Key:
ALVFLEWPYOOJPZ-UHFFFAOYSA-N
SMILES:
IC1CCC2CC1OC2=O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.965g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.051g/mol
Monoisotopic Mass:
251.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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