Chemical ID: 7089566

COC(=O)CC(=O)c1cccc(c1)F
Chemical ID:
7089566
Name [?]:
methyl 3-(3-fluorophenyl)-3-oxo-propanoate
SMILES [?]:
COC(=O)CC(=O)c1cccc(c1)F
InChi [?]:
InChI=1/C10H9FO3/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,13,5,8,12,6,3,14,7,4,2/rA:14nCOCOCCOCCCCCCF/rB:s1;s2;d3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9FO3
All Atoms:23
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.22253
Area:361.005
Solvation:-4.8026
Coulombic:-27.1445
Bond Count [?]
All:14
Single:9
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:196.175
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.12
LogP (Chemaxon):1.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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