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Home > Other Heterocycles > 57032-01-6
57032-01-6 | 1-{bicyclo[2.2.2]octan-1-yl}ethan-1-one
CAS No: 57032-01-6 Catalog No: AG01B9GI MDL No:MFCD24689318
Product Description
Catalog Number:
AG01B9GI
Chemical Name:
1-{bicyclo[2.2.2]octan-1-yl}ethan-1-one
CAS Number:
57032-01-6
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
MDL Number:
MFCD24689318
IUPAC Name:
1-(1-bicyclo[2.2.2]octanyl)ethanone
InChI:
InChI=1S/C10H16O/c1-8(11)10-5-2-9(3-6-10)4-7-10/h9H,2-7H2,1H3
InChI Key:
SIKYESMDPLYQRH-UHFFFAOYSA-N
SMILES:
CC(=O)C12CCC(CC1)CC2
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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