Chemical ID: 6422674

Cc1c(ccs1)C(=O)O
Chemical ID:
6422674
Name [?]:
2-methylthiophene-3-carboxylic acid
SMILES [?]:
Cc1c(ccs1)C(=O)O
InChi [?]:
InChI=1/C6H6O2S/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)
InChi Info:
AuxInfo=1/1/N:1,4,5,2,3,7,8,9,6/E:(7,8)/rA:9nCCCCCSCOO/rB:s1;d2;s3;d4;s2s5;s3;d7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6O2S
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:5.77688
Area:284.747
Solvation:-1.3418
Coulombic:-28.1114
Bond Count [?]
All:9
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:142.177
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.84
LogP (Chemaxon):1.23

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