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29443-62-7 | Bicyclo[2.2.1]heptan-2-one, 1-iodo-3,3-dimethyl-
CAS No: 29443-62-7 Catalog No: AG002YEH MDL No:
Product Description
Catalog Number:
AG002YEH
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 1-iodo-3,3-dimethyl-
CAS Number:
29443-62-7
Molecular Formula:
C9H13IO
Molecular Weight:
264.1034
IUPAC Name:
1-iodo-3,3-dimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C9H13IO/c1-8(2)6-3-4-9(10,5-6)7(8)11/h6H,3-5H2,1-2H3
InChI Key:
BRJYZZPLEKFROR-UHFFFAOYSA-N
SMILES:
O=C1C2(I)CCC(C1(C)C)C2
NSC Number:
143329
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.001g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.106g/mol
Monoisotopic Mass:
264.001g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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