Chemical ID: 6910770

CCc1ccc2c(c1)c(c(o2)C(=O)[O-])C
Chemical ID:
6910770
Name [?]:
5-ethyl-3-methyl-benzofuran-2-carboxylate
SMILES [?]:
CCc1ccc2c(c1)c(c(o2)C(=O)[O-])C
InChi [?]:
InChI=1/C12H12O3/c1-3-8-4-5-10-9(6-8)7(2)11(15-10)12(13)14/h4-6H,3H2,1-2H3,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,15,2,4,5,8,9,3,7,6,10,12,13,14,11/E:(13,14)/rA:15nCCCCCCCCCCOCOO-C/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;d12;s12;s9;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11O3-
All Atoms:26
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-35.754
Area:377.242
Solvation:-45.1851
Coulombic:-9.22704
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:203.214
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.26
LogP (Chemaxon):3.24

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue