3-Isoquinolinecarboxylic acid, decahydro-, [3S-(3a,4ab,8ab)]-


Chemical Name: 3-Isoquinolinecarboxylic acid, decahydro-, [3S-(3a,4ab,8ab)]-
CAS Number: 115238-58-9
Product Number: AG000GHV(AGN-PC-0P7B8U)
Synonyms:
MDL No:
Molecular Formula: C10H17NO2
Molecular Weight: 183.2475

Identification/Properties


Computed Properties
Molecular Weight:
183.251g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
183.126g/mol
Monoisotopic Mass:
183.126g/mol
Topological Polar Surface Area:
49.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
205
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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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