3-Hydroxypent-4-enoic acid

Inquiry

Molecular Formula:

C5H8O3

Molecular Weight:

116.11

CAS Number:

81357-28-0

Catalog Number:

81357-28-0

Product Information

Molecular Formula:

C5H8O3

Molecular Weight:

116.11

Description

3-Hydroxypent-4-enoic acid is a useful research chemical.

Synonyms

3-Hydroxy-4-pentenoic acid; 3-Hydroxy-4-pentenoate

IUPAC Name

3-hydroxypent-4-enoic acid

Canonical SMILES

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

InChI

InChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h2,4,6H,1,3H2,(H,7,8)

InChI Key

AINRQBNLOBQURT-UHFFFAOYSA-N

Computed Properties

XLogP3

-0.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

116.047344113 g/mol

Monoisotopic Mass

116.047344113 g/mol

Topological Polar Surface Area

57.5Å²

Heavy Atom Count

Formal Charge

Complexity

97.8

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)

Mass

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

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3-Hydroxypent-4-enoic acid

Product Information

Computed Properties

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