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Home > Other Heterocycles > 5063-03-6
5063-03-6 | 1-(Bicyclo[2.2.1]hept-5-en-2-yl);ethanone
CAS No: 5063-03-6 Catalog No: AG003MBT MDL No:MFCD00167570
Product Description
Catalog Number:
AG003MBT
Chemical Name:
1-(Bicyclo[2.2.1]hept-5-en-2-yl);ethanone
CAS Number:
5063-03-6
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
MDL Number:
MFCD00167570
IUPAC Name:
1-(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
InChI Key:
NIMLCWCLVJRPFY-UHFFFAOYSA-N
SMILES:
CC(=O)C1CC2CC1C=C2
EC Number:
225-767-0
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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