Home Carboxys 2,5-Dicarboxylic acid-3,4-ethylene dioxythiophene

2,5-Dicarboxylic acid-3,4-ethylene dioxythiophene

CAS No.:
18361-03-0
Catalog Number:
AG0027RC
Molecular Formula:
C8H6O6S
Molecular Weight:
230.1946
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>95.0%(GC)(T)
1 week
United States
$166
- +
5g
>95.0%(GC)(T)
1 week
United States
$460
- +
Product Description
Catalog Number:
AG0027RC
Chemical Name:
2,5-Dicarboxylic acid-3,4-ethylene dioxythiophene
CAS Number:
18361-03-0
Molecular Formula:
C8H6O6S
Molecular Weight:
230.1946
MDL Number:
MFCD00966477
IUPAC Name:
2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid
InChI:
InChI=1S/C8H6O6S/c9-7(10)5-3-4(14-2-1-13-3)6(15-5)8(11)12/h1-2H2,(H,9,10)(H,11,12)
InChI Key:
NWIYUAISDYJVMZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(c2c1OCCO2)C(=O)O
EC Number:
605-999-2
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.989g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.19g/mol
Monoisotopic Mass:
229.989g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase. Bioorganic & medicinal chemistry 20100715
Properties