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Methyl benzo[b]thiophene-2-carboxylate

CAS No.:
22913-24-2
Catalog Number:
AG002LHI
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$38
- +
5g
97%
In Stock USA
United States
$125
- +
10g
97%
In Stock USA
United States
$200
- +
25g
97%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG002LHI
Chemical Name:
Methyl benzo[b]thiophene-2-carboxylate
CAS Number:
22913-24-2
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
MDL Number:
MFCD00067791
IUPAC Name:
methyl 1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H8O2S/c1-12-10(11)9-6-7-4-2-3-5-8(7)13-9/h2-6H,1H3
InChI Key:
KRRAZMUPVIGDCU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(s1)cccc2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.025g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.232g/mol
Monoisotopic Mass:
192.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Synthesis and evaluation of 1-(benzo[b]thiophen-2-yl)ethanone analogues as novel anti-osteoporosis agents acting on BMP-2 promotor. Bioorganic & medicinal chemistry letters 20090801
Properties