Chelidonic acid 1-hydrate

Inquiry

Molecular Formula:

C7H4O6.H2O

Molecular Weight:

202.12

CAS Number:

6003-94-7

Catalog Number:

6003-94-7

Product Information

Molecular Formula:

C7H4O6.H2O

Molecular Weight:

202.12

Description

Chelidonic acid 1-hydrate is a multifaceted biomedicine chemical that finds its application in the therapeutic intervention of diverse ailments. Functioning as an efficacious chelating agent, it facilitates the elimination of toxic heavy metals from the physiological system. Moreover, its commendable attributes encompass antioxidative and anti-inflammatory potential, thus conferring advantages in mitigating conditions associated with oxidative stress and inflammation.

Synonyms

CHELIDONIC ACID MONOHYDRATE; 4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID MONOHYDRATE; CHELIDONIC ACID 1-HYDRATE; Chelidonic acid monohydrate,96%

IUPAC Name

4-oxopyran-2,6-dicarboxylic acidhydrate

Canonical SMILES

C1=C(OC(=CC1=O)C(=O)O)C(=O)O.O

InChI

InChI=1S/C7H4O6.H2O/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)1H2

InChI Key

KJZJAKSEIQOKAK-UHFFFAOYSA-N

Melting Point

265 °C

Purity

technical

Appearance

White to Orange to Green powder to crystal

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

202.01135253 g/mol

Monoisotopic Mass

202.01135253 g/mol

Topological Polar Surface Area

102Å²

Heavy Atom Count

Formal Charge

Complexity

316

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
TW-202138395-A	Curable resin composition, cured film and display device	2020-03-31
TW-202138539-A	Curable resin composition, cured film and display device	2020-03-31
CN-109970778-A	Metal organic structure body and its manufacturing method	2017-12-27
JP-2019116463-A	Metal organic structure and method for producing the same	2017-12-27
US-2019194232-A1	Metal-organic framework and method of producing the same	2017-12-27
CN-109970778-B	Metal organic structure and method for producing same	2017-12-27
US-11008347-B2	Metal-organic framework and method of producing the same	2017-12-27
US-2016207793-A1	Rare earth adsorbent and rare earth adsorption method using the same	2015-01-16
US-9731981-B2	Rare earth adsorbent and rare earth adsorption method using the same	2015-01-16
US-2013299423-A1	Modular Assembly of Metal-Organic Super-Containers Incorporating Calixarenes	2012-04-13

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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