[Synonyms]
2,3-Dihydroxybenzoic acid
o-Pyrocatechuic acid
Pyrocatechuic acid
DOBK
2-Pyrocatechuic acid
DHBA
3-Hydroxysalicylic acid
Catecholcarboxylic acid
2,3-dihydroxybenzoate
Benzoic acid, 2,3-dihydroxy-
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 2,3-dihydroxybenzoic acid
Canonical SMILES: C1=CC(=C(C(=C1)O)O)C(=O)O
InChI: InChI=1/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)/f/h10H
2,3-Dihydroxybenzoic acid
o-Pyrocatechuic acid
Pyrocatechuic acid
DOBK
2-Pyrocatechuic acid
DHBA
3-Hydroxysalicylic acid
Catecholcarboxylic acid
2,3-dihydroxybenzoate
Benzoic acid, 2,3-dihydroxy-
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 154.12014 [g/mol] |
| Molecular Formula | C7H6O4 |
| XLogP | 2.2 |
| H-Bond Donor | 3 |
| H-Bond Acceptor | 4 |
| Rotatable Bond Count | 1 |
| Tautomer Count | 13 |
| Exact Mass | 154.026609 |
| MonoIsotopic Mass | 154.026609 |
| Topological Polar Surface Area | 77.8 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 157 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: 2,3-dihydroxybenzoic acid
Canonical SMILES: C1=CC(=C(C(=C1)O)O)C(=O)O
InChI: InChI=1/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)/f/h10H
