Home Carboxys 3-Thiophenecarboxylic acid, 5-phenyl-

3-Thiophenecarboxylic acid, 5-phenyl-

CAS No.:
99578-58-2
Catalog Number:
AG006ND9
Molecular Formula:
C11H8O2S
Molecular Weight:
204.2450
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Product Description
Catalog Number:
AG006ND9
Chemical Name:
3-Thiophenecarboxylic acid, 5-phenyl-
CAS Number:
99578-58-2
Molecular Formula:
C11H8O2S
Molecular Weight:
204.2450
MDL Number:
MFCD08444324
IUPAC Name:
5-phenylthiophene-3-carboxylic acid
InChI:
InChI=1S/C11H8O2S/c12-11(13)9-6-10(14-7-9)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChI Key:
UPASVLUUTUDFMY-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc(c1)c1ccccc1
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.243g/mol
Monoisotopic Mass:
204.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties