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Home > Other Heterocycles > 143615-21-8
143615-21-8 | Bicyclo[2.2.2]oct-5-en-2-one, 7-acetyl-3,3-dimethyl-
CAS No: 143615-21-8 Catalog No: AG006U9I MDL No:
Product Description
Catalog Number:
AG006U9I
Chemical Name:
Bicyclo[2.2.2]oct-5-en-2-one, 7-acetyl-3,3-dimethyl-
CAS Number:
143615-21-8
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
7-acetyl-3,3-dimethylbicyclo[2.2.2]oct-5-en-2-one
InChI:
InChI=1S/C12H16O2/c1-7(13)10-6-8-4-5-9(10)11(14)12(8,2)3/h4-5,8-10H,6H2,1-3H3
InChI Key:
QPEDZHLQXSHODB-UHFFFAOYSA-N
SMILES:
CC(=O)C1CC2C=CC1C(=O)C2(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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