2,4,6-Trihydroxybenzoic Acid Monohydrate
Product Information
Molecular Formula
C7H8O6
Molecular Weight
188.13
Description
2,4,6-Trihydroxybenzoic Acid Monohydrate (CAS# 71989-93-0) is a useful research chemical.
Synonyms
2,4,6-trihydroxybenzoic acid;hydrate; 2,4,6-trihydroxybenzoic acid;hydrate
IUPAC Name
2,4,6-trihydroxybenzoic acid;hydrate
SMILES
C1=C(C=C(C(=C1O)C(=O)O)O)O.O
InChI
InChI=1S/C7H6O5.H2O/c8-3-1-4(9)6(7(11)12)5(10)2-3;/h1-2,8-10H,(H,11,12);1H2
InChI Key
HWZIRFCGHAROOI-UHFFFAOYSA-N
Boiling Point
426.5 °C at 760 mmHg
Melting Point
205 °C (lit.)
Flash Point
Not applicable
Purity
90 %
Appearance
Beige powder
LogP
0.43730
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
188.03208797 g/mol
Monoisotopic Mass
188.03208797 g/mol
Topological Polar Surface Area
99Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
169
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
2
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| KR-102256837-B1 | I-Line Negative Photoresist Composition For Center-edge Height Difference Improvement and Line and Edge Roughness Improvement | 2020-09-24 |
| KR-20210127389-A | Novel Synthtic Method for gaylussacin derivatives | 2020-04-14 |
| WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 2019-12-12 |
| CN-111184866-A | Combination therapy for bacterial infections | 2018-11-14 |
| US-2020155641-A1 | Combination treatment of bacterial infection | 2018-11-14 |
| CN-109293493-A | With the inhibition active novel benzhydryl class compound of mycobacterium tuberculosis | 2018-10-29 |
| CN-109293493-B | Novel benzhydryl compounds with mycobacterium tuberculosis inhibiting activity | 2018-10-29 |
| WO-2019173507-A1 | Antibacterial agents : arylalkylcarboxamido phloroglucinols | 2018-03-06 |
| US-2021017126-A1 | Antibacterial Agents: Arylalkylcarboxamido Phloroglucinols | 2018-03-06 |
| WO-2019156093-A1 | Rubber composition and tire | 2018-02-07 |
