CAS 4436-74-2 trans-2-Butene-1,4-dicarboxylic acid

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trans-2-Butene-1,4-dicarboxylic acid

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Catalog Number

ACM4436742

CAS Number

4436-74-2

Product Name

trans-2-Butene-1,4-dicarboxylic acid

Structure

Category

Monomers

Synonyms

3-Hexenedioicacid

Description

Solid

IUPAC Name

(E)-Hex-3-enedioic acid

Molecular Weight

144.13

Molecular Formula

C6H8O4

Canonical SMILES

C(C=CCC(=O)O)C(=O)O

InChI

InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+

InChI Key

YHGNXQAFNHCBTK-OWOJBTEDSA-N

Boiling Point

368.7±22.0 °C

Melting Point

195-196 °C(lit.)

Flash Point

191 °C

Purity

98%

Density

1.305±0.06 g/cm³

Solubility

17 mg/mL

Appearance

White to off-white solid

Storage

2-8 °C

Complexity

141

Covalently-Bonded Unit Count

EC Number

224-648-0

Exact Mass

144.04225873

Formal Charge

Heavy Atom Count

Isomeric SMILES

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

MeSH Entry Terms

cis,cis-muconate;muconic acid;muconic acid, (E,E)-isomer;trans,trans-muconic acid;trans-beta-hydromuconic acid

Monoisotopic Mass

144.04225873

NSC Number

84221

Refractive Index

1.51

Rotatable Bond Count

Safety Description

22-24/25

Supplemental Hazard Statements

H315-H319

Topological Polar Surface Area

74.6 Å²

XLogP3

-0.1

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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