Home Other Building Blocks 2-(THIOPHENE-2-CARBONYL)BENZOIC ACID 9&

2-(THIOPHENE-2-CARBONYL)BENZOIC ACID 9&

CAS No.:
46496-80-4
Catalog Number:
AG00DFZP
Molecular Formula:
C12H8O3S
Molecular Weight:
232.2551
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Product Description
Catalog Number:
AG00DFZP
Chemical Name:
2-(THIOPHENE-2-CARBONYL)BENZOIC ACID 9&
CAS Number:
46496-80-4
Molecular Formula:
C12H8O3S
Molecular Weight:
232.2551
MDL Number:
MFCD00101021
IUPAC Name:
2-(thiophene-2-carbonyl)benzoic acid
InChI:
InChI=1S/C12H8O3S/c13-11(10-6-3-7-16-10)8-4-1-2-5-9(8)12(14)15/h1-7H,(H,14,15)
InChI Key:
KPJANWLDEVDGEA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C(=O)c1cccs1
NSC Number:
136418
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.019g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.253g/mol
Monoisotopic Mass:
232.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
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