4-Isoquinolinecarboxylicacid, 2-cyclohexyl-1,2,3,4-tetrahydro-1-oxo-3-phenyl-, trans- (9CI)


Chemical Name: 4-Isoquinolinecarboxylicacid, 2-cyclohexyl-1,2,3,4-tetrahydro-1-oxo-3-phenyl-, trans- (9CI)
CAS Number: 73349-37-8
Product Number: AG005ORF(AGN-PC-0OH9RS)
Synonyms:
MDL No:
Molecular Formula: C22H23NO3
Molecular Weight: 349.4229

Identification/Properties


Computed Properties
Molecular Weight:
349.43g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
349.168g/mol
Monoisotopic Mass:
349.168g/mol
Topological Polar Surface Area:
57.6A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
522
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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