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Home > Other Heterocycles > 88525-25-1
88525-25-1 | Bicyclo[3.2.0]heptan-2-one, 6,6-dimethoxy-3,3-dimethyl-
CAS No: 88525-25-1 Catalog No: AG004758 MDL No:
Product Description
Catalog Number:
AG004758
Chemical Name:
Bicyclo[3.2.0]heptan-2-one, 6,6-dimethoxy-3,3-dimethyl-
CAS Number:
88525-25-1
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
6,6-dimethoxy-3,3-dimethylbicyclo[3.2.0]heptan-2-one
InChI:
InChI=1S/C11H18O3/c1-10(2)6-8-7(9(10)12)5-11(8,13-3)14-4/h7-8H,5-6H2,1-4H3
InChI Key:
XVBXGQZNYHMATC-UHFFFAOYSA-N
SMILES:
COC1(OC)CC2C1CC(C2=O)(C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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