Chemical ID: 6660032

c1cc(c(cc1O)S(=O)(=O)[O-])O
Chemical ID:
6660032
Name [?]:
2,5-dihydroxybenzenesulfonate
SMILES [?]:
c1cc(c(cc1O)S(=O)(=O)[O-])O
InChi [?]:
InChI=1/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,7,12,9,10,11,8/E:(9,10,11)/CRV:12.6/rA:12nCCCCCCOSOOO-O/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;d8;s8;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5O5S-
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-34.2844
Area:318.55
Solvation:-42.2481
Coulombic:-12.1498
Bond Count [?]
All:12
Single:7
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:189.167
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.17
LogP (Chemaxon):0.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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