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Home > Other Heterocycles > 111931-41-0
111931-41-0 | Bicyclo[5.2.1]dec-3-ene-2,6-dione, 4,10,10-trimethyl-
CAS No: 111931-41-0 Catalog No: AG007DEU MDL No:
Product Description
Catalog Number:
AG007DEU
Chemical Name:
Bicyclo[5.2.1]dec-3-ene-2,6-dione, 4,10,10-trimethyl-
CAS Number:
111931-41-0
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
4,10,10-trimethylbicyclo[5.2.1]dec-3-ene-2,6-dione
InChI:
InChI=1S/C13H18O2/c1-8-6-11(14)9-4-5-10(12(15)7-8)13(9,2)3/h6,9-10H,4-5,7H2,1-3H3
InChI Key:
ZJNJRGAONGJISE-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)C2C(C(C(=O)C1)CC2)(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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