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Chemical ID: 4950074
Chemical ID:
4950074
Name [?]:
3,4,5-trihydroxybenzoic acid
SMILES [?]:
c1c(cc(c(c1O)O)O)C(=O)O
InChi [?]:
InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,2,6,4,5,10,7,9,8,11,12/E:(1,2)(4,5)(8,9)(11,12)/rA:12nCCCCCCOOOCOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s2;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H6O5 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.15576 |
Area: | 319.328 |
Solvation: | -4.82744 |
Coulombic: | -73.697 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 170.12 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 1.06 |
LogP (Chemaxon): | 0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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