5-Carboxy SU 5402


Chemical Name: 5-Carboxy SU 5402
CAS Number: 258831-77-5
Product Number: AG00C2OB(AGN-PC-0WAHSX)
Synonyms:
MDL No:
Molecular Formula: C18H16N2O5
Molecular Weight: 340.33004

Identification/Properties


Computed Properties
Molecular Weight:
340.335g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
340.106g/mol
Monoisotopic Mass:
340.106g/mol
Topological Polar Surface Area:
120A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
602
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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