Home Carboxys 2,3-dihydro-1-benzothiophene-3-carboxylic acid

2,3-dihydro-1-benzothiophene-3-carboxylic acid

CAS No.:
19156-56-0
Catalog Number:
AG01AJDW
Molecular Formula:
C9H8O2S
Molecular Weight:
180.2236
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AJDW
Chemical Name:
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CAS Number:
19156-56-0
Molecular Formula:
C9H8O2S
Molecular Weight:
180.2236
MDL Number:
MFCD19382244
IUPAC Name:
2,3-dihydro-1-benzothiophene-3-carboxylic acid
InChI:
InChI=1S/C9H8O2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H,10,11)
InChI Key:
FDHVMZWQPQMDSU-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSc2c1cccc2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.221g/mol
Monoisotopic Mass:
180.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties