4-hydroxy-2H-1,3-benzodioxole-5-carboxylic acid - CAS 4776-00-5
Catalog: |
BB026389 |
Product Name: |
4-hydroxy-2H-1,3-benzodioxole-5-carboxylic acid |
CAS: |
4776-00-5 |
Synonyms: |
4-hydroxy-1,3-benzodioxole-5-carboxylic acid; 4-hydroxy-1,3-benzodioxole-5-carboxylic acid |
IUPAC Name: | 4-hydroxy-1,3-benzodioxole-5-carboxylic acid |
Description: | 4-hydroxy-2H-1,3-benzodioxole-5-carboxylic acid (CAS# 4776-00-5 ) is a useful research chemical. |
Molecular Weight: | 182.131 |
Molecular Formula: | C8H6O5 |
Canonical SMILES: | C1OC2=C(O1)C(=C(C=C2)C(=O)O)O |
InChI: | InChI=1S/C8H6O5/c9-6-4(8(10)11)1-2-5-7(6)13-3-12-5/h1-2,9H,3H2,(H,10,11) |
InChI Key: | SBMAXSKHTYXTKD-UHFFFAOYSA-N |
LogP: | 0.81910 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019153080-A1 | Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof | 20180206 |
EP-3749672-A1 | Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof | 20180206 |
US-2020331921-A1 | Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof | 20180206 |
US-2020409260-A1 | Protective film forming composition having an acetal structure | 20171222 |
WO-2019119145-A1 | Tricyclic inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof | 20171221 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.02152329 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.02152329 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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