Chemical ID: 7432712

c1cc(oc1C(=O)O)S(=O)(=O)[O-]
Chemical ID:
7432712
Name [?]:
5-carboxyfuran-2-sulfonate
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)/p-1
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:C5H3O6S-
All Atoms:15
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-33.1306
Area:331.002
Solvation:-41.4056
Coulombic:-20.5506
Bond Count [?]
All:12
Single:7
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:191.14
H-Bond Donors:1
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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