Home Other Building Blocks 3-[4-(thiophen-2-yl)butanamido]benzoic acid

3-[4-(thiophen-2-yl)butanamido]benzoic acid

CAS No.:
1016744-14-1
Catalog Number:
AG019VBU
Molecular Formula:
C15H15NO3S
Molecular Weight:
289.3495
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Product Description
Catalog Number:
AG019VBU
Chemical Name:
3-[4-(thiophen-2-yl)butanamido]benzoic acid
CAS Number:
1016744-14-1
Molecular Formula:
C15H15NO3S
Molecular Weight:
289.3495
MDL Number:
MFCD09813869
IUPAC Name:
3-(4-thiophen-2-ylbutanoylamino)benzoic acid
InChI:
InChI=1S/C15H15NO3S/c17-14(8-2-6-13-7-3-9-20-13)16-12-5-1-4-11(10-12)15(18)19/h1,3-5,7,9-10H,2,6,8H2,(H,16,17)(H,18,19)
InChI Key:
KJTXIVJGBGGHLN-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)C(=O)O)CCCc1cccs1
Properties
Complexity:
348  
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:
6  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties