Home Aminos 4-[(2,5-dioxopyrrolidin-1-yl)amino]benzoic acid

4-[(2,5-dioxopyrrolidin-1-yl)amino]benzoic acid

CAS No.:
1803583-81-4
Catalog Number:
AG01BCOS
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
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Product Description
Catalog Number:
AG01BCOS
Chemical Name:
4-[(2,5-dioxopyrrolidin-1-yl)amino]benzoic acid
CAS Number:
1803583-81-4
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
MDL Number:
MFCD27980979
IUPAC Name:
4-[(2,5-dioxopyrrolidin-1-yl)amino]benzoic acid
InChI:
InChI=1S/C11H10N2O4/c14-9-5-6-10(15)13(9)12-8-3-1-7(2-4-8)11(16)17/h1-4,12H,5-6H2,(H,16,17)
InChI Key:
IIXHTTDWHJOQHB-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1Nc1ccc(cc1)C(=O)O
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties