Home Carboxys 5-morpholino-2-nitrobenzenecarboxylic acid

5-morpholino-2-nitrobenzenecarboxylic acid

CAS No.:
153437-51-5
Catalog Number:
AG00AMR5
Molecular Formula:
C11H12N2O5
Molecular Weight:
252.2234
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Product Description
Catalog Number:
AG00AMR5
Chemical Name:
5-morpholino-2-nitrobenzenecarboxylic acid
CAS Number:
153437-51-5
Molecular Formula:
C11H12N2O5
Molecular Weight:
252.2234
MDL Number:
MFCD07686077
IUPAC Name:
5-morpholin-4-yl-2-nitrobenzoic acid
InChI:
InChI=1S/C11H12N2O5/c14-11(15)9-7-8(1-2-10(9)13(16)17)12-3-5-18-6-4-12/h1-2,7H,3-6H2,(H,14,15)
InChI Key:
YLZSNFZNVCUXMM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1[N+](=O)[O-])N1CCOCC1
Properties
Complexity:
324  
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:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.226g/mol
Monoisotopic Mass:
252.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties