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Home > Other Heterocycles > 89879-29-8
89879-29-8 | Bicyclo[2.2.2]octa-5,7-dien-2-one, 6-acetyl-1,3,3-trimethyl-
CAS No: 89879-29-8 Catalog No: AG006H60 MDL No:
Product Description
Catalog Number:
AG006H60
Chemical Name:
Bicyclo[2.2.2]octa-5,7-dien-2-one, 6-acetyl-1,3,3-trimethyl-
CAS Number:
89879-29-8
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
6-acetyl-1,3,3-trimethylbicyclo[2.2.2]octa-5,7-dien-2-one
InChI:
InChI=1S/C13H16O2/c1-8(14)10-7-9-5-6-13(10,4)11(15)12(9,2)3/h5-7,9H,1-4H3
InChI Key:
YEOVOSCNRYLGGM-UHFFFAOYSA-N
SMILES:
CC(=O)C1=CC2C=CC1(C)C(=O)C2(C)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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