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Home > Other Heterocycles > 872278-48-3
872278-48-3 | Bicyclo[3.1.1]heptane-2,4-dione, 6,6-dimethyl-
CAS No: 872278-48-3 Catalog No: AG004RPD MDL No:MFCD24691129
Product Description
Catalog Number:
AG004RPD
Chemical Name:
Bicyclo[3.1.1]heptane-2,4-dione, 6,6-dimethyl-
CAS Number:
872278-48-3
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD24691129
IUPAC Name:
6,6-dimethylbicyclo[3.1.1]heptane-2,4-dione
InChI:
InChI=1S/C9H12O2/c1-9(2)5-3-6(9)8(11)4-7(5)10/h5-6H,3-4H2,1-2H3
InChI Key:
MRLMBLCAGJIZHM-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)C2CC1C2(C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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