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Home > Other Heterocycles > 179605-68-6
179605-68-6 | Bicyclo[4.1.0]heptan-2-one, 7,7-dimethyl-3-methylene-, (1S,6R)-
CAS No: 179605-68-6 Catalog No: AG00274X MDL No:
Product Description
Catalog Number:
AG00274X
Chemical Name:
Bicyclo[4.1.0]heptan-2-one, 7,7-dimethyl-3-methylene-, (1S,6R)-
CAS Number:
179605-68-6
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
(1S,6R)-7,7-dimethyl-3-methylidenebicyclo[4.1.0]heptan-2-one
InChI:
InChI=1S/C10H14O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h7-8H,1,4-5H2,2-3H3/t7-,8-/m1/s1
InChI Key:
RPCFFYOXVFIOPI-HTQZYQBOSA-N
SMILES:
C=C1CC[C@@H]2[C@H](C1=O)C2(C)C
Properties
Complexity:
237
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:
2.4
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