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88653-53-6 | Bicyclo[2.2.1]heptan-2-one, 4-iodo-1,7,7-trimethyl-
CAS No: 88653-53-6 Catalog No: AG0048ZD MDL No:
Product Description
Catalog Number:
AG0048ZD
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 4-iodo-1,7,7-trimethyl-
CAS Number:
88653-53-6
Molecular Formula:
C10H15IO
Molecular Weight:
278.1300
IUPAC Name:
4-iodo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C10H15IO/c1-8(2)9(3)4-5-10(8,11)6-7(9)12/h4-6H2,1-3H3
InChI Key:
WHUBZDNPFQJESG-UHFFFAOYSA-N
SMILES:
O=C1CC2(C(C1(C)CC2)(C)C)I
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.133g/mol
Monoisotopic Mass:
278.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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