Chemical ID: 4950074

c1c(cc(c(c1O)O)O)C(=O)O
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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