cis-Aconitic Anhydride

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Molecular Formula:

C6H4O5

Molecular Weight:

156.09

CAS Number:

6318-55-4

Catalog Number:

6318-55-4

Product Information

Molecular Formula:

C6H4O5

Molecular Weight:

156.09

Description

cis-Aconitic Anhydride is used in the targeted delivery of Doxorubicin and oligonucleotides.

Synonyms

2,5-Dihydro-2,5-dioxo-3-furanacetic Acid; (2,5-Dioxo-2,5-dihydrofuran-3-yl)acetic Acid; Aconitic anhydride; 3-Furanacetic acid, 2,5-dihydro-2,5-dioxo-; cis-Aconitic acid anhydride; 2-(2,5-dioxo-2,5-dihydrofuran-3-yl)acetic acid; NSC 31662; 1-Propene-1,2,3-tricarboxylic acid, 1,2-anhydride; 1-Propene-1,2,3-tricarboxylic acid, cyclic 1,2-anhydride; Aconityl anhydride

IUPAC Name

2-(2,5-dioxofuran-3-yl)acetic acid

Canonical SMILES

C1=C(C(=O)OC1=O)CC(=O)O

InChI

InChI=1S/C6H4O5/c7-4(8)1-3-2-5(9)11-6(3)10/h2H,1H2,(H,7,8)

InChI Key

GVJRTUUUJYMTNQ-UHFFFAOYSA-N

Boiling Point

397.8±25.0°C (Predicted)

Melting Point

75-78°C

Purity

98%

Density

1.621±0.06 g/cm3 (Predicted)

Appearance

Powder or Crystalline

Storage

Store at 2-8°C

Safety Information

Hazards

H314

Precautionary Statement

P280 - P305 + P351 + P338 - P310

Computed Properties

XLogP3

-0.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

156.00587322 g/mol

Monoisotopic Mass

156.00587322 g/mol

Topological Polar Surface Area

80.7Å²

Heavy Atom Count

Formal Charge

Complexity

262

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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cis-Aconitic Anhydride

Product Information

Safety Information

Computed Properties

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