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Home > Other Heterocycles > 67316-12-5
67316-12-5 | Bicyclo[2.2.2]oct-5-en-2-one, 1-methoxy-5-methyl-
CAS No: 67316-12-5 Catalog No: AG005PBK MDL No:
Product Description
Catalog Number:
AG005PBK
Chemical Name:
Bicyclo[2.2.2]oct-5-en-2-one, 1-methoxy-5-methyl-
CAS Number:
67316-12-5
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
1-methoxy-5-methylbicyclo[2.2.2]oct-5-en-2-one
InChI:
InChI=1S/C10H14O2/c1-7-6-10(12-2)4-3-8(7)5-9(10)11/h6,8H,3-5H2,1-2H3
InChI Key:
ZMSBZAUFTDYOEH-UHFFFAOYSA-N
SMILES:
COC12CCC(C(=C1)C)CC2=O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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