Trimethyl citrate

Inquiry

Molecular Formula:

C9H14O7

Molecular Weight:

234.20

CAS Number:

1587-20-8

Catalog Number:

1587-20-8

Product Information

Molecular Formula:

C9H14O7

Molecular Weight:

234.20

Description

Trimethyl citrate is a reagent used in the preparation of citrate-ciprofloxacin conjugates which has antibacterial activity.

Synonyms

Citric acid, trimethyl ester

IUPAC Name

trimethyl 2-hydroxypropane-1,2,3-tricarboxylate

Canonical SMILES

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

InChI

InChI=1S/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3

InChI Key

HDDLVZWGOPWKFW-UHFFFAOYSA-N

Boiling Point

176 °C at 16 mmHg

Melting Point

79 °C

Purity

98%

Density

1.265 g/cm³

Appearance

White to almost white powder to crystal

LogP

-0.98330

Computed Properties

XLogP3

-1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

234.07395278 g/mol

Monoisotopic Mass

234.07395278 g/mol

Topological Polar Surface Area

99.1Å²

Heavy Atom Count

Formal Charge

Complexity

266

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

Concentration

Volume

Molecular Weight *

Calculate

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)

Calculate

Trimethyl citrate

Product Information

Computed Properties

Related Products