Homophthalic anhydride

Inquiry

Molecular Formula:

C9H6O3

Molecular Weight:

162.14

CAS Number:

703-59-3

Catalog Number:

703-59-3

Product Information

Molecular Formula:

C9H6O3

Molecular Weight:

162.14

Description

Homophthalic anhydride is a useful research chemical.

Synonyms

1H-2-Benzopyran-1,3(4H)-dione; 1H-Isochromene-1,3(4H)-dione; 3,4-2H-Isocoumarin-3-one; benzoglutaric anhydride; Isochroman-1,3-quinone; 1,3-Isochromandione; 2-Carboxyphenylacetic anhydride

IUPAC Name

4H-isochromene-1,3-dione

Canonical SMILES

C1C2=CC=CC=C2C(=O)OC1=O

InChI

InChI=1S/C9H6O3/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-4H,5H2

InChI Key

AKHSBAVQPIRVAG-UHFFFAOYSA-N

Boiling Point

324.5±35.0 ℃ at 760 mmHg

Melting Point

140-142 ℃

Purity

≥ 97 %

Density

1.347 g/cm³

Appearance

Slightly yellow to beige or light green powder

Storage

2-8 ℃

Refractive Index

1.5380 (estimate)

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Signal Word

Warning

Computed Properties

XLogP3

0.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

162.031694049 g/mol

Monoisotopic Mass

162.031694049 g/mol

Topological Polar Surface Area

43.4Å²

Heavy Atom Count

Formal Charge

Complexity

222

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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Volume _(start)

Concentration _(final)

Volume _(final)

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Homophthalic anhydride

Product Information

Safety Information

Computed Properties

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