Home Carboxys 1,3-dioxo-2,3-dihydro-1H-isoindole-4-carboxylic acid

1,3-dioxo-2,3-dihydro-1H-isoindole-4-carboxylic acid

CAS No.:
776-22-7
Catalog Number:
AG01AFJ1
Molecular Formula:
C9H5NO4
Molecular Weight:
191.1403
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Product Description
Catalog Number:
AG01AFJ1
Chemical Name:
1,3-dioxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
CAS Number:
776-22-7
Molecular Formula:
C9H5NO4
Molecular Weight:
191.1403
MDL Number:
MFCD20639778
IUPAC Name:
1,3-dioxoisoindole-4-carboxylic acid
InChI:
InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)8(12)10-7/h1-3H,(H,13,14)(H,10,11,12)
InChI Key:
BADJECWYJALBEL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1C(=O)NC2=O
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.022g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.142g/mol
Monoisotopic Mass:
191.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties