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Home > Other Heterocycles > 159651-24-8
159651-24-8 | Ethanone, 1-(1S,2R,4S)-bicyclo[2.2.1]hept-5-en-2-yl-
CAS No: 159651-24-8 Catalog No: AG001R9U MDL No:
Product Description
Catalog Number:
AG001R9U
Chemical Name:
Ethanone, 1-(1S,2R,4S)-bicyclo[2.2.1]hept-5-en-2-yl-
CAS Number:
159651-24-8
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanone
InChI:
InChI=1S/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3/t7-,8+,9-/m0/s1
InChI Key:
NIMLCWCLVJRPFY-YIZRAAEISA-N
SMILES:
CC(=O)[C@@H]1C[C@@H]2C[C@H]1C=C2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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