2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-,2-(9H-fluoren-9-ylmethyl) ester, (3S)-


Chemical Name: 2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-,2-(9H-fluoren-9-ylmethyl) ester, (3S)-
CAS Number: 136030-33-6
Product Number: AG00HUFN(AGN-PC-0PKSO6)
Synonyms:
MDL No:
Molecular Formula: C25H21NO4
Molecular Weight: 399.4385

Identification/Properties


Computed Properties
Molecular Weight:
399.446g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
399.147g/mol
Monoisotopic Mass:
399.147g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
629
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
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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