(E)-Crotonic anhydride

Inquiry

Molecular Formula:

C8H10O3

Molecular Weight:

154.16

CAS Number:

78957-07-0

Catalog Number:

78957-07-0

Product Information

Molecular Formula:

C8H10O3

Molecular Weight:

154.16

Description

Crotonic anhydride is a crucial compound utilized in the biomedicine field. With its unique chemical structure, it plays a significant role in the synthesis of pharmaceutical drugs used to treat various diseases. Comprising a critical component in drug development, crotonic anhydride contributes to the creation of effective therapies targeting specific ailments and improving patient health outcomes.

Synonyms

2-Butenoic acid, 1,1'-anhydride, (2E,2'E)-; 2-Butenoic acid, anhydride, (2E,2'E)-; 2-Butenoic acid, anhydride, (E,E)-; trans-Crotonic anhydride

IUPAC Name

[(E)-but-2-enoyl] (E)-but-2-enoate

Canonical SMILES

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

InChI

InChI=1S/C8H10O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H,1-2H3/b5-3+,6-4+

InChI Key

VJDDQSBNUHLBTD-GGWOSOGESA-N

Boiling Point

247.0±9.0°C at 760 mmHg

Flash Point

200.1 °CF - closed cup

Purity

95%

Density

1.038±0.06 g/cm3

Solubility

Soluble in Ether

Appearance

Colourless Liquid

Refractive Index

n20/D 1.473 (lit.)

Odor

SLIGHT ODOR

Safety Information

Hazards

H314

Precautionary Statement

P280 - P305 + P351 + P338 - P310

Computed Properties

XLogP3

1.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

154.062994177 g/mol

Monoisotopic Mass

154.062994177 g/mol

Topological Polar Surface Area

43.4Å²

Heavy Atom Count

Formal Charge

Complexity

179

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

Patents

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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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