Home Carboxys Methyl 4-Hydroxy-1-benzothiophene-6-carboxylate

Methyl 4-Hydroxy-1-benzothiophene-6-carboxylate

CAS No.:
314725-14-9
Catalog Number:
AG003RVG
Molecular Formula:
C10H8O3S
Molecular Weight:
208.2337
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Product Description
Catalog Number:
AG003RVG
Chemical Name:
Methyl 4-Hydroxy-1-benzothiophene-6-carboxylate
CAS Number:
314725-14-9
Molecular Formula:
C10H8O3S
Molecular Weight:
208.2337
MDL Number:
MFCD21908500
IUPAC Name:
methyl 4-hydroxy-1-benzothiophene-6-carboxylate
InChI:
InChI=1S/C10H8O3S/c1-13-10(12)6-4-8(11)7-2-3-14-9(7)5-6/h2-5,11H,1H3
InChI Key:
IRAYMNSJGYCOHV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)c2c(c1)scc2
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.019g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.231g/mol
Monoisotopic Mass:
208.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties