CAS 13728-34-2 | 2,3-Naphthalenedicarboxylic acid, 2,3-dimethyl ester | CAS Number 13728-34-2

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13728-34-2 | 2,3-Naphthalenedicarboxylic acid, 2,3-dimethyl ester

CAS No: 13728-34-2 Catalog No: AG001325 MDL No:MFCD00012278

Product Description

Catalog Number:

AG001325

Chemical Name:

2,3-Naphthalenedicarboxylic acid, 2,3-dimethyl ester

CAS Number:

13728-34-2

Molecular Formula:

C14H12O4

Molecular Weight:

244.2427

MDL Number:

MFCD00012278

IUPAC Name:

dimethyl naphthalene-2,3-dicarboxylate

InChI:

InChI=1S/C14H12O4/c1-17-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14(16)18-2/h3-8H,1-2H3

InChI Key:

MPDGBCOIHNLQMR-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc2ccccc2cc1C(=O)OC

Properties

Complexity:

294

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

244.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.246g/mol

Monoisotopic Mass:

244.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Complexation of dimethyl 2,3-naphthalenedicarboxylate with 2-hydroxypropyl-alpha-, -beta- and -gamma-cyclodextrins in aqueous solution by fluorescence, circular dichroism and molecular mechanics.	Journal of fluorescence 20081101
Binding of dimethyl 2,3-naphthalenedicarboxylate with alpha-, beta- and gamma-cyclodextrins in aqueous solution.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070601