Home Other Building Blocks 1,1,4-TRIOXO-2H,3H-BENZO[E]THIIN-6-CARBOXYLIC ACID

1,1,4-TRIOXO-2H,3H-BENZO[E]THIIN-6-CARBOXYLIC ACID

CAS No.:
1391272-62-0
Catalog Number:
AG01EJZK
Molecular Formula:
C10H8O5S
Molecular Weight:
240.2325
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Product Description
Catalog Number:
AG01EJZK
Chemical Name:
1,1,4-TRIOXO-2H,3H-BENZO[E]THIIN-6-CARBOXYLIC ACID
CAS Number:
1391272-62-0
Molecular Formula:
C10H8O5S
Molecular Weight:
240.2325
MDL Number:
MFCD22426429
IUPAC Name:
1,1,4-trioxo-2,3-dihydrothiochromene-6-carboxylic acid
InChI:
InChI=1S/C10H8O5S/c11-8-3-4-16(14,15)9-2-1-6(10(12)13)5-7(8)9/h1-2,5H,3-4H2,(H,12,13)
InChI Key:
SGFXIDLTVDYRHV-UHFFFAOYSA-N
SMILES:
O=C1CCS(=O)(=O)c2c1cc(cc2)C(=O)O
Properties
Complexity:
419  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.009g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.229g/mol
Monoisotopic Mass:
240.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties