Home Carboxys 7-hydroxy-1-benzothiophene-5-carboxylic acid

7-hydroxy-1-benzothiophene-5-carboxylic acid

CAS No.:
1221448-81-2
Catalog Number:
AG01BETT
Molecular Formula:
C9H6O3S
Molecular Weight:
194.2071
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Product Description
Catalog Number:
AG01BETT
Chemical Name:
7-hydroxy-1-benzothiophene-5-carboxylic acid
CAS Number:
1221448-81-2
Molecular Formula:
C9H6O3S
Molecular Weight:
194.2071
MDL Number:
MFCD20661131
IUPAC Name:
7-hydroxy-1-benzothiophene-5-carboxylic acid
InChI:
InChI=1S/C9H6O3S/c10-7-4-6(9(11)12)3-5-1-2-13-8(5)7/h1-4,10H,(H,11,12)
InChI Key:
NEGUYZPTEJBCNN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(O)c2c(c1)ccs2
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.004g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.204g/mol
Monoisotopic Mass:
194.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties