3,4-Dihydroxythiophene-2,5-dicarboxylic acid diethyl ester - CAS 1822-66-8
Catalog: |
BB076894 |
Product Name: |
3,4-Dihydroxythiophene-2,5-dicarboxylic acid diethyl ester |
CAS: |
1822-66-8 |
Synonyms: |
2,5-Dicarbethoxy-3,4-dihydroxythiophene; 2,5-Diethoxycarbonyl-3,4-dihydroxythiophene; 3,4-Dihydroxy-2,5-dicarbethoxythiophene; 3,4-Dihydroxythiophene-2,5-dicarboxylate; Dicetol; Diethyl 3,4-dihydroxy-2,5-thiophenedicarboxylate; NSC 57502; 3,4-Dihydroxythiophene-2,5-dicarboxylic acid diethyl ester; 2,5-Thiophenedicarboxylic acid, 3,4-dihydroxy-, diethyl ester |
IUPAC Name: | diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate |
Molecular Weight: | 260.26 |
Molecular Formula: | C10H12O6S |
Canonical SMILES: | CCOC(=O)C1=C(C(=C(S1)C(=O)OCC)O)O |
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 |
Boiling Point: | 153°C |
Melting Point: | 132-135°C |
Purity: | ≥95% |
Density: | 1.017 g/mL at 25°C |
Storage: | Store at 2-8°C, protect from light |
MDL: | MFCD03094035 |
Precautionary Statement: | P261-P305P351P338 |
Signal Word: | Warning |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.03545927 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.03545927 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 121 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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