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Chemical ID: 4516400
Chemical ID:
4516400
Name [?]:
thiophene-2,5-dicarboxylic acid
SMILES [?]:
c1cc(sc1C(=O)O)C(=O)O
InChi [?]:
InChI=1/C6H4O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,6,9,7,8,10,11,4/E:(1,2)(3,4)(5,6)(7,8,9,10)/gE:(1,2)/rA:11nCCCSCCOOCOO/rB:s1;d2;s3;d1s4;s5;d6;s6;s3;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H4O4S |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.59176 |
Area: | 324.327 |
Solvation: | -2.51641 |
Coulombic: | -55.0259 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 172.16 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.13 |
LogP (Chemaxon): | 0.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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