Chemical ID: 6706673

c1cc(ccc1C2=C(C(=O)CC2)CC(=O)[O-])F
Chemical ID:
6706673
Name [?]:
2-[2-(4-fluorophenyl)-5-oxo-1-cyclopentenyl]acetate
SMILES [?]:
c1cc(ccc1C2=C(C(=O)CC2)CC(=O)[O-])F
InChi [?]:
InChI=1/C13H11FO3/c14-9-3-1-8(2-4-9)10-5-6-12(15)11(10)7-13(16)17/h1-4H,5-7H2,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,11,13,6,3,7,8,9,14,17,10,15,16/E:(1,2)(3,4)(16,17)/rA:17nCCCCCCCCCOCCCCOO-F/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s9;s7s11;s8;s13;d14;s14;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10FO3-
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-35.9311
Area:395.461
Solvation:-45.8176
Coulombic:-9.5716
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.215
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.75
LogP (Chemaxon):2.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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