Home Carboxys 5-Cyano-1-benzothiophene-2-carboxylic acid

5-Cyano-1-benzothiophene-2-carboxylic acid

CAS No.:
154650-76-7
Catalog Number:
AG00HY9H
Molecular Formula:
C10H5NO2S
Molecular Weight:
203.2172
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$275
- +
1g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG00HY9H
Chemical Name:
5-Cyano-1-benzothiophene-2-carboxylic acid
CAS Number:
154650-76-7
Molecular Formula:
C10H5NO2S
Molecular Weight:
203.2172
MDL Number:
MFCD13180891
IUPAC Name:
5-cyano-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H5NO2S/c11-5-6-1-2-8-7(3-6)4-9(14-8)10(12)13/h1-4H,(H,12,13)
InChI Key:
ZYPDMDQLHAAUOJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)cc(s2)C(=O)O
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.004g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.215g/mol
Monoisotopic Mass:
203.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties