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Chemical ID: 4904827
Chemical ID:
4904827
Name [?]:
5-sulfofuran-2-carboxylic acid
SMILES [?]:
c1cc(oc1C(=O)O)S(=O)(=O)O
InChi [?]:
InChI=1/C5H4O6S/c6-5(7)3-1-2-4(11-3)12(8,9)10/h1-2H,(H,6,7)(H,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,6,7,8,10,11,12,4,9/E:(6,7)(8,9,10)/CRV:12.6/rA:12nCCCOCCOOSOOO/rB:s1;d2;s3;d1s4;s5;d6;s6;s3;d9;d9;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H4O6S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.98669 |
Area: | 330.999 |
Solvation: | -3.28829 |
Coulombic: | -52.3752 |
Bond Count [?]
All: | 12 |
Single: | 7 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 192.148 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -1.13 |
LogP (Chemaxon): | -0.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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