cis-4-Cyclohexene-1,2-dicarboxylic Acid

Inquiry

Molecular Formula:

C8H10O4

Molecular Weight:

170.16

CAS Number:

2305-26-2

Catalog Number:

2305-26-2

Product Information

Molecular Formula:

C8H10O4

Molecular Weight:

170.16

Description

cis-4-Cyclohexene-1,2-dicarboxylic Acid (CAS# 2305-26-2) is a useful research chemical.

Synonyms

(1S,2R)-cyclohex-4-ene-1,2-dicarboxylic acid; (1S,2R)-cyclohex-4-ene-1,2-dicarboxylic acid

IUPAC Name

(1R,2S)-cyclohex-4-ene-1,2-dicarboxylic acid

Canonical SMILES

C1C=CCC(C1C(=O)O)C(=O)O

InChI

InChI=1S/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-2,5-6H,3-4H2,(H,9,10)(H,11,12)/t5-,6+

InChI Key

ILUAAIDVFMVTAU-OLQVQODUSA-N

Boiling Point

106-107 °C (Press: 0.1 Torr)

Melting Point

168 °C

Purity

> 98.0 % (GC) (T)

Density

1.369±0.06 g/cm³(Predicted)

Appearance

White powder to crystal

LogP

0.73800

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

0.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

170.05790880 g/mol

Monoisotopic Mass

170.05790880 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

207

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-4-Cyclohexene-1,2-dicarboxylic Acid

Product Information

Safety Information

Computed Properties

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