C1=C(C=C(C(=C1O)O)O)C(=O)O
CAS: 149-91-7
Name: 3,4,5-trihydroxybenzoic acid
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)O

Molecular Processing

Molecular formula
C7H6O5
Molecular weight
170.12
Exact mass
170.0215
XLogP
0.5
TPSA
97.99
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
38.4

Supplementary Information

InChIKey: LNTHITQWFMADLM-UHFFFAOYSA-N
Synonyme
Gallic acid3,4,5-Trihydroxybenzoic acid149-91-7Benzoic acid, 3,4,5-trihydroxy-Gallic acid, tech.Pyrogallol-5-carboxylic acidKyselina gallovaDTXSID0020650NSC-20103NSC-674319CHEBI:30778632XD903SPNSC20103DTXCID60650Acid, GallicGallic Acid 1520RefChem:64373,4,5-hydroxybenzoic acid205-749-9GALLIC ACID ANHYDROUSGALOPMFCD00002510HSDB 2117CCRIS 5523NSC 674319AI3-16412Kyselina 3,4,5-trihydroxybenzoovaGraphite oxideCHEMBL2881143,4,5-trihydroxy-Benzoic acid
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