Home Carboxys 5-Methyl-4-phenylthiophene-3-carboxylic acid

5-Methyl-4-phenylthiophene-3-carboxylic acid

CAS No.:
557792-56-0
Catalog Number:
AG00D990
Molecular Formula:
C12H10O2S
Molecular Weight:
218.2716
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
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Product Description
Catalog Number:
AG00D990
Chemical Name:
5-Methyl-4-phenylthiophene-3-carboxylic acid
CAS Number:
557792-56-0
Molecular Formula:
C12H10O2S
Molecular Weight:
218.2716
MDL Number:
MFCD03419883
IUPAC Name:
5-methyl-4-phenylthiophene-3-carboxylic acid
InChI:
InChI=1S/C12H10O2S/c1-8-11(9-5-3-2-4-6-9)10(7-15-8)12(13)14/h2-7H,1H3,(H,13,14)
InChI Key:
GIGSDQGBKJYLFV-UHFFFAOYSA-N
SMILES:
Cc1scc(c1c1ccccc1)C(=O)O
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.27g/mol
Monoisotopic Mass:
218.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties