2,2-Dihydroxy-5-methoxy-1,3-indandione hydrate

Inquiry

Molecular Formula:

C10H8O5 · xH2O

Molecular Weight:

208.17 (anhydrous basis)

CAS Number:

304671-58-7

Catalog Number:

304671-58-7

Product Information

Molecular Formula:

C10H8O5 · xH2O

Molecular Weight:

208.17 (anhydrous basis)

Description

2,2-Dihydroxy-5-methoxy-1,3-indandione hydrate, an entity hailing from the biomedical sphere, anchors its utility in the realm of organic synthesis and pharmaceutical artifacts.

Synonyms

5-Methoxyninhydrin

IUPAC Name

2,2-dihydroxy-5-methoxyindene-1,3-dionehydrate

Canonical SMILES

COC1=CC2=C(C=C1)C(=O)C(C2=O)(O)O.O

InChI

InChI=1S/C10H8O5.H2O/c1-15-5-2-3-6-7(4-5)9(12)10(13,14)8(6)11/h2-4,13-14H,1H31H2

InChI Key

YYNQFAORHHCTJY-UHFFFAOYSA-N

Melting Point

126-129 °C (lit.)

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

226.04773803 g/mol

Monoisotopic Mass

226.04773803 g/mol

Topological Polar Surface Area

84.8Å²

Heavy Atom Count

Formal Charge

Complexity

309

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

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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2,2-Dihydroxy-5-methoxy-1,3-indandione hydrate

Product Information

Computed Properties

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