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Home > Other Heterocycles > 110415-92-4
110415-92-4 | Bicyclo[3.2.1]oct-3-en-6-one, 4,8,8-trimethyl-, (1S,5S)-
CAS No: 110415-92-4 Catalog No: AG007D87 MDL No:
Product Description
Catalog Number:
AG007D87
Chemical Name:
Bicyclo[3.2.1]oct-3-en-6-one, 4,8,8-trimethyl-, (1S,5S)-
CAS Number:
110415-92-4
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
(1S,5S)-4,8,8-trimethylbicyclo[3.2.1]oct-3-en-6-one
InChI:
InChI=1S/C11H16O/c1-7-4-5-8-6-9(12)10(7)11(8,2)3/h4,8,10H,5-6H2,1-3H3/t8-,10+/m0/s1
InChI Key:
GQJWHWVNEJBEPZ-WCBMZHEXSA-N
SMILES:
O=C1C[C@H]2C([C@@H]1C(=CC2)C)(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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