2,3,4-Trihydroxybenzoic acid - CAS 610-02-6
Catalog: |
BB030893 |
Product Name: |
2,3,4-Trihydroxybenzoic acid |
CAS: |
610-02-6 |
Synonyms: |
2,3,4-trihydroxybenzoic acid |
IUPAC Name: | 2,3,4-trihydroxybenzoic acid |
Description: | 2,3,4-Trihydroxybenzoic acid (CAS# 610-02-6) is used in preparation of Polyester Polyol for solar backboard coating adhesive. |
Molecular Weight: | 170.12 |
Molecular Formula: | C7H6O5 |
Canonical SMILES: | C1=CC(=C(C(=C1C(=O)O)O)O)O |
InChI: | InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12) |
InChI Key: | BRRSNXCXLSVPFC-UHFFFAOYSA-N |
Boiling Point: | 437.5 °C at 760 mmHg |
Purity: | > 97 % |
Density: | 1.749 g/cm3 |
MDL: | MFCD00002447 |
LogP: | 0.50160 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
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PMID | Publication Date | Title | Journal |
22412689 | 20120301 | 2,3,4-Trihy-droxy-benzoic acid 0.25-hydrate | Acta crystallographica. Section E, Structure reports online |
20729481 | 20101001 | Molecular cloning and characterization of a novel tomato xylosyltransferase specific for gentisic acid | Journal of experimental botany |
20957092 | 20100914 | Molecular modeling of peroxidase and polyphenol oxidase: substrate specificity and active site comparison | International journal of molecular sciences |
20939276 | 20100701 | [Phenol constituents of Pachysandra terminalis and their antioxidant activity] | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica |
18990494 | 20090615 | Toxicity and quantitative structure-activity relationships of benzoic acids to Pseudokirchneriella subcapitata | Journal of hazardous materials |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.02152329 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.02152329 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 98 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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