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68040-76-6

68040-76-6 | Benzoic acid, 2-[(3-carboxy-1-oxo-2-propenyl)amino]-

CAS No: 68040-76-6 Catalog No: AG006GDT MDL No:

Product Description

Catalog Number:
AG006GDT
Chemical Name:
Benzoic acid, 2-[(3-carboxy-1-oxo-2-propenyl)amino]-
CAS Number:
68040-76-6
Molecular Formula:
C11H9NO5
Molecular Weight:
235.1929
IUPAC Name:
2-(3-carboxyprop-2-enoylamino)benzoic acid
InChI:
InChI=1S/C11H9NO5/c13-9(5-6-10(14)15)12-8-4-2-1-3-7(8)11(16)17/h1-6H,(H,12,13)(H,14,15)(H,16,17)
InChI Key:
QRJVIZCSCVUXBG-UHFFFAOYSA-N
SMILES:
OC(=O)C=CC(=O)Nc1ccccc1C(=O)O

Properties

Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.048g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
235.195g/mol
Monoisotopic Mass:
235.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.6  

Literature

Title Journal
Synthesis and applications of surface-grafted Th(IV)-imprinted polymers for selective solid-phase extraction of thorium(IV). Analytica chimica acta 20071219

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