2-[(4-nitrophenyl)methyl]butanedioic acid


Chemical Name: 2-[(4-nitrophenyl)methyl]butanedioic acid
CAS Number: 56416-12-7
Product Number: AG00EEFL(AGN-PC-05W1Y3)
Synonyms:
MDL No:
Molecular Formula: C11H11NO6
Molecular Weight: 253.20814

Identification/Properties


Computed Properties
Molecular Weight:
253.21g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
253.059g/mol
Monoisotopic Mass:
253.059g/mol
Topological Polar Surface Area:
120A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
329
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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