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Home Carboxys 4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid

4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid

CAS No.:
40133-07-1
Catalog Number:
AG00C8AJ
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$88
- +
5g
96%
In Stock USA
United States
$263
- +
10g
96%
In Stock USA
United States
$432
- +
Product Description
Catalog Number:
AG00C8AJ
Chemical Name:
4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid
CAS Number:
40133-07-1
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD00464469
IUPAC Name:
4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H10O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2,(H,10,11)
InChI Key:
ROLXOQXKNDKXTA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(s1)CCCC2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties