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140714-00-7 | 3-Cyclohexene-1-carboxylic acid, 1-fluoro-2-oxo-, ethyl ester
CAS No: 140714-00-7 Catalog No: AG001CQF MDL No:
Product Description
Catalog Number:
AG001CQF
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 1-fluoro-2-oxo-, ethyl ester
CAS Number:
140714-00-7
Molecular Formula:
C9H11FO3
Molecular Weight:
186.1802
IUPAC Name:
ethyl 1-fluoro-2-oxocyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C9H11FO3/c1-2-13-8(12)9(10)6-4-3-5-7(9)11/h3,5H,2,4,6H2,1H3
InChI Key:
LLHGMVGUWYSTIL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(F)CCC=CC1=O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.182g/mol
Monoisotopic Mass:
186.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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