trans-Glutaconic acid

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Molecular Formula:

C5H6O4

Molecular Weight:

130.10

CAS Number:

628-48-8

Catalog Number:

628-48-8

Product Information

Molecular Formula:

C5H6O4

Molecular Weight:

130.10

Description

trans-Glutaconic acid (CAS# 628-48-8 ) is a useful research chemical.

Synonyms

(E)-Glutaconic acid

IUPAC Name

(E)-pent-2-enedioic acid

Canonical SMILES

C(C=CC(=O)O)C(=O)O

InChI

InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+

InChI Key

XVOUMQNXTGKGMA-OWOJBTEDSA-N

Melting Point

137-139 ℃(lit.)

Flash Point

Not applicable

Purity

95 %

Appearance

Solid

Computed Properties

XLogP3

-0.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

130.02660867 g/mol

Monoisotopic Mass

130.02660867 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

147

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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trans-Glutaconic acid

Product Information

Computed Properties

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