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2-[4-(propan-2-yl)benzamido]thiophene-3-carboxylic acid

CAS No.:
1041555-04-7
Catalog Number:
AG019V94
Molecular Formula:
C15H15NO3S
Molecular Weight:
289.3495
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Product Description
Catalog Number:
AG019V94
Chemical Name:
2-[4-(propan-2-yl)benzamido]thiophene-3-carboxylic acid
CAS Number:
1041555-04-7
Molecular Formula:
C15H15NO3S
Molecular Weight:
289.3495
MDL Number:
MFCD12165927
IUPAC Name:
2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylic acid
InChI:
InChI=1S/C15H15NO3S/c1-9(2)10-3-5-11(6-4-10)13(17)16-14-12(15(18)19)7-8-20-14/h3-9H,1-2H3,(H,16,17)(H,18,19)
InChI Key:
VHAWCJGITMCVSG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(C)C)Nc1sccc1C(=O)O
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.077g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
289.349g/mol
Monoisotopic Mass:
289.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties