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40590-77-0 | 1-(Bicyclo[2.2.2]oct-5-en-2-yl)ethanone
CAS No: 40590-77-0 Catalog No: AG0076H7 MDL No:MFCD24688674
Product Description
Catalog Number:
AG0076H7
Chemical Name:
1-(Bicyclo[2.2.2]oct-5-en-2-yl)ethanone
CAS Number:
40590-77-0
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
MDL Number:
MFCD24688674
IUPAC Name:
1-(2-bicyclo[2.2.2]oct-5-enyl)ethanone
InChI:
InChI=1S/C10H14O/c1-7(11)10-6-8-2-4-9(10)5-3-8/h2,4,8-10H,3,5-6H2,1H3
InChI Key:
QPPGEPODNBLBTG-UHFFFAOYSA-N
SMILES:
CC(=O)C1CC2CCC1C=C2
NSC Number:
133388
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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