Chemical ID: 4118429

c1cc2c(cc1C=CC(=O)O)OC(O2)(F)F
Chemical ID:
4118429
Name [?]:
3-(2,2-difluorobenzo[1,3]dioxol-5-yl)prop-2-enoic acid
SMILES [?]:
c1cc2c(cc1C=CC(=O)O)OC(O2)(F)F
InChi [?]:
InChI=1/C10H6F2O4/c11-10(12)15-7-3-1-6(2-4-9(13)14)5-8(7)16-10/h1-5H,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,7,2,8,5,6,3,4,9,13,15,16,10,11,14,12/E:(11,12)(13,14)/rA:16nCCCCCCCCCOOOCOFF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s4;s12;s3s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6F2O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.44511
Area:355.525
Solvation:-2.44301
Coulombic:-62.5006
Bond Count [?]
All:17
Single:12
Double:5
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:228.149
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.37
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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