Home Other Building Blocks 3-methyl-2-(2-methylfuran-3-amido)benzoic acid

3-methyl-2-(2-methylfuran-3-amido)benzoic acid

CAS No.:
926252-81-5
Catalog Number:
AG019WJ8
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
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Product Description
Catalog Number:
AG019WJ8
Chemical Name:
3-methyl-2-(2-methylfuran-3-amido)benzoic acid
CAS Number:
926252-81-5
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
MDL Number:
MFCD09045130
IUPAC Name:
3-methyl-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid
InChI:
InChI=1S/C14H13NO4/c1-8-4-3-5-11(14(17)18)12(8)15-13(16)10-6-7-19-9(10)2/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChI Key:
DGNIOTMWXFAYIO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1NC(=O)c1ccoc1C)C
Properties
Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties