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Home > Other Heterocycles > 136954-28-4
136954-28-4 | Bicyclo[2.2.2]oct-5-en-2-one, 1-methoxy-, (1S,4R)-
CAS No: 136954-28-4 Catalog No: AG0012LP MDL No:
Product Description
Catalog Number:
AG0012LP
Chemical Name:
Bicyclo[2.2.2]oct-5-en-2-one, 1-methoxy-, (1S,4R)-
CAS Number:
136954-28-4
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
1-methoxybicyclo[2.2.2]oct-5-en-2-one
InChI:
InChI=1S/C9H12O2/c1-11-9-4-2-7(3-5-9)6-8(9)10/h2,4,7H,3,5-6H2,1H3
InChI Key:
OUYWPTDADVLKIK-UHFFFAOYSA-N
SMILES:
CO[C@@]12CC[C@@H](C=C1)CC2=O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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