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Home > Other Heterocycles > 16161-84-5
16161-84-5 | Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-methylene-, (1R,4S)-
CAS No: 16161-84-5 Catalog No: AG001VQY MDL No:
Product Description
Catalog Number:
AG001VQY
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-methylene-, (1R,4S)-
CAS Number:
16161-84-5
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
(1R)-1,7,7-trimethyl-3-methylidenebicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C11H16O/c1-7-8-5-6-11(4,9(7)12)10(8,2)3/h8H,1,5-6H2,2-4H3/t8?,11-/m0/s1
InChI Key:
XWHIOJOWXZILNH-LYNSQETBSA-N
SMILES:
C=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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