Chemical ID: 4727523

Cc1ccsc1C(=O)O
Chemical ID:
4727523
Name [?]:
3-methylthiophene-2-carboxylic acid
SMILES [?]:
Cc1ccsc1C(=O)O
InChi [?]:
InChI=1/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)
InChi Info:
AuxInfo=1/1/N:1,3,4,2,6,7,8,9,5/E:(7,8)/rA:9nCCCCSCCOO/rB:s1;s2;d3;s4;d2s5;s6;d7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6O2S
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:5.68534
Area:282.548
Solvation:-1.37835
Coulombic:-28.5455
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:0.81
LogP (Chemaxon):1.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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