Home Carboxys 3,5,6-trimethyl-1-benzothiophene-2-carboxylic acid

3,5,6-trimethyl-1-benzothiophene-2-carboxylic acid

CAS No.:
1094456-73-1
Catalog Number:
AG01BEUW
Molecular Formula:
C12H12O2S
Molecular Weight:
220.2875
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BEUW
Chemical Name:
3,5,6-trimethyl-1-benzothiophene-2-carboxylic acid
CAS Number:
1094456-73-1
Molecular Formula:
C12H12O2S
Molecular Weight:
220.2875
MDL Number:
MFCD11207693
IUPAC Name:
3,5,6-trimethyl-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C12H12O2S/c1-6-4-9-8(3)11(12(13)14)15-10(9)5-7(6)2/h4-5H,1-3H3,(H,13,14)
InChI Key:
CLGVPJKKIFLXCK-UHFFFAOYSA-N
SMILES:
Cc1cc2c(cc1C)sc(c2C)C(=O)O
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.286g/mol
Monoisotopic Mass:
220.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties