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88100-68-9 | 2-Cyclohexen-1-one, 3-ethyl-6-fluoro-
CAS No: 88100-68-9 Catalog No: AG004J1U MDL No:
Product Description
Catalog Number:
AG004J1U
Chemical Name:
2-Cyclohexen-1-one, 3-ethyl-6-fluoro-
CAS Number:
88100-68-9
Molecular Formula:
C8H11FO
Molecular Weight:
142.1707
IUPAC Name:
3-ethyl-6-fluorocyclohex-2-en-1-one
InChI:
InChI=1S/C8H11FO/c1-2-6-3-4-7(9)8(10)5-6/h5,7H,2-4H2,1H3
InChI Key:
FVXPFXZMKOPUDW-UHFFFAOYSA-N
SMILES:
CCC1=CC(=O)C(CC1)F
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.173g/mol
Monoisotopic Mass:
142.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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