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Home > Other Heterocycles > 82691-87-0
82691-87-0 | Bicyclo[5.1.0]oct-2-en-4-one, 8,8-dimethyl-, (1R,7S)-
CAS No: 82691-87-0 Catalog No: AG0051Y4 MDL No:
Product Description
Catalog Number:
AG0051Y4
Chemical Name:
Bicyclo[5.1.0]oct-2-en-4-one, 8,8-dimethyl-, (1R,7S)-
CAS Number:
82691-87-0
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
(1R,7S)-8,8-dimethylbicyclo[5.1.0]oct-2-en-4-one
InChI:
InChI=1S/C10H14O/c1-10(2)8-5-3-7(11)4-6-9(8)10/h3,5,8-9H,4,6H2,1-2H3/t8-,9+/m1/s1
InChI Key:
KWJOKSSVHGTBHD-BDAKNGLRSA-N
SMILES:
O=C1CC[C@H]2[C@@H](C=C1)C2(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/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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