Name: Name:2,5-Thiophenedicarboxylic acid, 3,4-dihydroxy-, 2,5-diethyl ester
Brand: Angene
SKU: AG0023H8
Rating: 90 (10 reviews)

2,5-Thiophenedicarboxylic acid, 3,4-dihydroxy-, 2,5-diethyl ester

CAS No.:

1822-66-8

Catalog Number:

AG0023H8

Molecular Formula:

C10H12O6S

Molecular Weight:

260.2637

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Product Description

Catalog Number:

AG0023H8

Chemical Name:

2,5-Thiophenedicarboxylic acid, 3,4-dihydroxy-, 2,5-diethyl ester

CAS Number:

1822-66-8

Molecular Formula:

C10H12O6S

Molecular Weight:

260.2637

MDL Number:

MFCD03094035

IUPAC Name:

diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate

InChI:

InChI=1S/C10H12O6S/c1-3-15-9(13)7-5(11)6(12)8(17-7)10(14)16-4-2/h11-12H,3-4H2,1-2H3

InChI Key:

YOKOBAHUBJPMGP-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1sc(c(c1O)O)C(=O)OCC

NSC Number:

57502

Properties

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.26g/mol

Monoisotopic Mass:

260.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

121A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Diethyl 2,3-dihydro-thieno[3,4-b]-1,4-dioxine-5,7-dicarboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20080201
A substituted EDOT precursor: diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate.	Acta crystallographica. Section C, Crystal structure communications 20040501

Properties