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Chemical ID: 6660032
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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