Home Carboxys 2-(4-acetamidophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

2-(4-acetamidophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

CAS No.:
49587-52-2
Catalog Number:
AG00I8V0
Molecular Formula:
C17H12N2O5
Molecular Weight:
324.2876
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Product Description
Catalog Number:
AG00I8V0
Chemical Name:
2-(4-acetamidophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
CAS Number:
49587-52-2
Molecular Formula:
C17H12N2O5
Molecular Weight:
324.2876
MDL Number:
MFCD00192754
IUPAC Name:
2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylic acid
InChI:
InChI=1S/C17H12N2O5/c1-9(20)18-11-3-5-12(6-4-11)19-15(21)13-7-2-10(17(23)24)8-14(13)16(19)22/h2-8H,1H3,(H,18,20)(H,23,24)
InChI Key:
PSZQNXKRIHBZKI-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
Properties
Complexity:
567  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.075g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
324.292g/mol
Monoisotopic Mass:
324.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties