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Home Nitros 4-[(3-nitrophenyl)carbamoyl]butanoic acid

4-[(3-nitrophenyl)carbamoyl]butanoic acid

CAS No.:
25901-27-3
Catalog Number:
AG01BGGS
Molecular Formula:
C11H12N2O5
Molecular Weight:
252.2234
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Product Description
Catalog Number:
AG01BGGS
Chemical Name:
4-[(3-nitrophenyl)carbamoyl]butanoic acid
CAS Number:
25901-27-3
Molecular Formula:
C11H12N2O5
Molecular Weight:
252.2234
MDL Number:
MFCD00029876
IUPAC Name:
5-(3-nitroanilino)-5-oxopentanoic acid
InChI:
InChI=1S/C11H12N2O5/c14-10(5-2-6-11(15)16)12-8-3-1-4-9(7-8)13(17)18/h1,3-4,7H,2,5-6H2,(H,12,14)(H,15,16)
InChI Key:
NZLOFCLTCZFBJU-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)[N+](=O)[O-])CCCC(=O)O
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.075g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.226g/mol
Monoisotopic Mass:
252.075g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties