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


Chemical Name: 2,5-Thiophenedicarboxylic acid, 3,4-dihydroxy-, diethyl ester
CAS Number: 1822-66-8
Product Number: AG0023H8(AGN-PC-0JOINQ)
Synonyms:
MDL No:
Molecular Formula: C10H12O6S
Molecular Weight: 260.2637

Identification/Properties


Computed Properties
Molecular Weight:
260.26g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
6
Exact Mass:
260.035g/mol
Monoisotopic Mass:
260.035g/mol
Topological Polar Surface Area:
121A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
267
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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