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Home > Other Heterocycles > 132152-67-1
132152-67-1 | Bicyclo[2.2.2]octan-2-one, 6-acetyl-1,3,3-trimethyl-, (1S,4R,6R)-
CAS No: 132152-67-1 Catalog No: AG0010AX MDL No:
Product Description
Catalog Number:
AG0010AX
Chemical Name:
Bicyclo[2.2.2]octan-2-one, 6-acetyl-1,3,3-trimethyl-, (1S,4R,6R)-
CAS Number:
132152-67-1
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
(1S,4R,6R)-6-acetyl-1,3,3-trimethylbicyclo[2.2.2]octan-2-one
InChI:
InChI=1S/C13H20O2/c1-8(14)10-7-9-5-6-13(10,4)11(15)12(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,13+/m1/s1
InChI Key:
SSBUTIOMQWXGHP-NRUUGDAUSA-N
SMILES:
CC(=O)[C@@H]1C[C@H]2CC[C@]1(C)C(=O)C2(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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