Home Other Building Blocks 3-(2,3-dihydro-1-benzofuran-2-amido)benzoic acid

3-(2,3-dihydro-1-benzofuran-2-amido)benzoic acid

CAS No.:
1016494-02-2
Catalog Number:
AG019VD9
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
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Product Description
Catalog Number:
AG019VD9
Chemical Name:
3-(2,3-dihydro-1-benzofuran-2-amido)benzoic acid
CAS Number:
1016494-02-2
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
MDL Number:
MFCD09815165
IUPAC Name:
3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoic acid
InChI:
InChI=1S/C16H13NO4/c18-15(14-9-10-4-1-2-7-13(10)21-14)17-12-6-3-5-11(8-12)16(19)20/h1-8,14H,9H2,(H,17,18)(H,19,20)
InChI Key:
IAVBAJSVXIXYBQ-UHFFFAOYSA-N
SMILES:
O=C(C1Cc2c(O1)cccc2)Nc1cccc(c1)C(=O)O
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.084g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
283.283g/mol
Monoisotopic Mass:
283.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties