Dodecanedioic Acid Monomethyl Ester

CAS

3903-40-0

Catalog Number

ACM3903400

Category

Main Products

Molecular Weight

244.33

Molecular Formula

C13H24O4

MSDS COA Spec Sheet

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Specification

Synonyms

METHYL HYDROGEN DODECANE-1,12-DIOATE;DODECANEDIOIC ACID MONOMETHYL ESTER;MONOMETHYL DODECANE-1,12-DIOATE;MONOMETHYL-DODECANEDIOATE;12-keto-12-methoxy-lauric acid;12-methoxy-12-oxododecanoic acid;12-methoxy-12-oxo-dodecanoic acid;Dodecanedioic Acid 1-Methyl Ester

IUPAC Name

12-methoxy-12-oxododecanoicacid

Canonical SMILES

COC(=O)CCCCCCCCCCC(=O)O

InChI Key

REGGDLIBDASKGE-UHFFFAOYSA-N

Boiling Point

355.3ºC at 760 mmHg

Melting Point

48-50 °C

Flash Point

124.3ºC

Density

1.012 g/cm³

Appearance

White to Yellow Solid

Exact Mass

244.16700

What is the molecular formula of Dodecanedioic Acid Monomethyl Ester?

The molecular formula of Dodecanedioic Acid Monomethyl Ester is C13H24O4.

What are the synonyms of Dodecanedioic Acid Monomethyl Ester?

The synonyms of Dodecanedioic Acid Monomethyl Ester are 12-methoxy-12-oxododecanoic acid, 3903-40-0, Dodecanedioic Acid 1-Methyl Ester, and MFCD00053323.

What is the molecular weight of Dodecanedioic Acid Monomethyl Ester?

The molecular weight of Dodecanedioic Acid Monomethyl Ester is 244.33 g/mol.

When was Dodecanedioic Acid Monomethyl Ester created?

Dodecanedioic Acid Monomethyl Ester was created on March 26, 2005.

What is the IUPAC name of Dodecanedioic Acid Monomethyl Ester?

The IUPAC name of Dodecanedioic Acid Monomethyl Ester is 12-methoxy-12-oxododecanoic acid.

What is the InChI of Dodecanedioic Acid Monomethyl Ester?

The InChI of Dodecanedioic Acid Monomethyl Ester is InChI=1S/C13H24O4/c1-17-13(16)11-9-7-5-3-2-4-6-8-10-12(14)15/h2-11H2,1H3,(H,14,15).

What is the InChIKey of Dodecanedioic Acid Monomethyl Ester?

The InChIKey of Dodecanedioic Acid Monomethyl Ester is REGGDLIBDASKGE-UHFFFAOYSA-N.

What is the Canonical SMILES of Dodecanedioic Acid Monomethyl Ester?

The Canonical SMILES of Dodecanedioic Acid Monomethyl Ester is COC(=O)CCCCCCCCCCC(=O)O.

What is the CAS number of Dodecanedioic Acid Monomethyl Ester?

The CAS number of Dodecanedioic Acid Monomethyl Ester is 3903-40-0.

What are the computed properties of Dodecanedioic Acid Monomethyl Ester?

The computed properties of Dodecanedioic Acid Monomethyl Ester include molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and whether the compound is canonicalized.