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68069-67-0

68069-67-0 | Bicyclo[2.2.2]oct-5-en-2-one, (1S)-

CAS No: 68069-67-0 Catalog No: AG006G31 MDL No:MFCD29913208

Product Description

Catalog Number:
AG006G31
Chemical Name:
Bicyclo[2.2.2]oct-5-en-2-one, (1S)-
CAS Number:
68069-67-0
Molecular Formula:
C8H10O
Molecular Weight:
122.1644
MDL Number:
MFCD29913208
IUPAC Name:
(1S,4S)-bicyclo[2.2.2]oct-5-en-2-one
InChI:
InChI=1S/C8H10O/c9-8-5-6-1-3-7(8)4-2-6/h1,3,6-7H,2,4-5H2/t6-,7+/m0/s1
InChI Key:
UJVGEBBKXJLFPB-NKWVEPMBSA-N
SMILES:
O=C1CC2CC[C@H]1C=C2

Properties

Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
122.073g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.167g/mol
Monoisotopic Mass:
122.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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