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Home > Other Heterocycles > 904681-42-1
904681-42-1 | Bicyclo[4.2.0]octan-2-one, 7,7-dimethyl-, (1R,6R)-
CAS No: 904681-42-1 Catalog No: AG006Q1S MDL No:
Product Description
Catalog Number:
AG006Q1S
Chemical Name:
Bicyclo[4.2.0]octan-2-one, 7,7-dimethyl-, (1R,6R)-
CAS Number:
904681-42-1
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
(1R,6R)-7,7-dimethylbicyclo[4.2.0]octan-2-one
InChI:
InChI=1S/C10H16O/c1-10(2)6-7-8(10)4-3-5-9(7)11/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChI Key:
ABUUNWMZZZNVIA-HTQZYQBOSA-N
SMILES:
O=C1CCC[C@@H]2[C@H]1CC2(C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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