Home Carboxys 5,6-dihydroxy-1-benzothiophene-2-carboxylic acid

5,6-dihydroxy-1-benzothiophene-2-carboxylic acid

CAS No.:
97852-77-2
Catalog Number:
AG01B69N
Molecular Formula:
C9H6O4S
Molecular Weight:
210.2065
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Product Description
Catalog Number:
AG01B69N
Chemical Name:
5,6-dihydroxy-1-benzothiophene-2-carboxylic acid
CAS Number:
97852-77-2
Molecular Formula:
C9H6O4S
Molecular Weight:
210.2065
MDL Number:
MFCD24483877
IUPAC Name:
5,6-dihydroxy-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H6O4S/c10-5-1-4-2-8(9(12)13)14-7(4)3-6(5)11/h1-3,10-11H,(H,12,13)
InChI Key:
WXMGXZXENPTLLY-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1)cc(c(c2)O)O
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.999g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
210.203g/mol
Monoisotopic Mass:
209.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties