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Home Aminos 3-(((3-Methylthiophen-2-yl)methyl)amino)benzoic acid

3-(((3-Methylthiophen-2-yl)methyl)amino)benzoic acid

CAS No.:
869950-52-7
Catalog Number:
AG004NW6
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG004NW6
Chemical Name:
3-(((3-Methylthiophen-2-yl)methyl)amino)benzoic acid
CAS Number:
869950-52-7
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
MDL Number:
MFCD04508910
IUPAC Name:
3-[(3-methylthiophen-2-yl)methylamino]benzoic acid
InChI:
InChI=1S/C13H13NO2S/c1-9-5-6-17-12(9)8-14-11-4-2-3-10(7-11)13(15)16/h2-7,14H,8H2,1H3,(H,15,16)
InChI Key:
KEYWDFMSJNCJRG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)NCc1sccc1C
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties