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1-Cyclopentenecarboxylic acid, 2-methyl-3-vinyl-, 4'-fluorophenyl

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摘 要:1-Cyclopentenecarboxylic acid, 2-methyl-3-vinyl-, 4'-fluorophenyl ester (4-fluorophenyl) 3-ethenyl-2-methylcyclopentene-1-carboxylate,Canonical SMILES: CC1=C(CCC1C=C)C(=O)OC2=CC=C(C=C2)F,InChI: InChI=1/C15H15FO2/c1-3-11-4-9-14(10(11)2)15(17)18-13
[Synonyms]
1-Cyclopentenecarboxylic acid, 2-methyl-3-vinyl-, 4'-fluorophenyl ester
[Structure]
1-Cyclopentenecarboxylic acid, 2-methyl-3-vinyl-, 4'-fluorophenyl

[ Properties Computed from Structure]
Molecular Weight246.276803 [g/mol]
Molecular FormulaC15H15FO2
XLogP3.8
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count4
Exact Mass246.105608
MonoIsotopic Mass246.105608
Topological Polar Surface Area26.3
Heavy Atom Count18
Formal Charge0
Complexity365
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (4-fluorophenyl) 3-ethenyl-2-methylcyclopentene-1-carboxylate
Canonical SMILES: CC1=C(CCC1C=C)C(=O)OC2=CC=C(C=C2)F
InChI: InChI=1/C15H15FO2/c1-3-11-4-9-14(10(11)2)15(17)18-13-7-5-12(16)6-8-13/
h3,5-8,11H,1,4,9H2,2H3

 
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