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Home > Other Heterocycles > 83637-35-8
83637-35-8 | Bicyclo[2.2.2]oct-5-en-2-one, 4-methyl-, (1S)-
CAS No: 83637-35-8 Catalog No: AG004TSI MDL No:
Product Description
Catalog Number:
AG004TSI
Chemical Name:
Bicyclo[2.2.2]oct-5-en-2-one, 4-methyl-, (1S)-
CAS Number:
83637-35-8
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
(1S)-4-methylbicyclo[2.2.2]oct-5-en-2-one
InChI:
InChI=1S/C9H12O/c1-9-4-2-7(3-5-9)8(10)6-9/h2,4,7H,3,5-6H2,1H3/t7-,9?/m1/s1
InChI Key:
ZFFCBWOUNBBXFH-YOXFSPIKSA-N
SMILES:
O=C1CC2(C)CC[C@H]1C=C2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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