3-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-, (3S)-


Chemical Name: 3-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-, (3S)-
CAS Number: 270082-22-9
Product Number: AG007M6Q(AGN-PC-0O8H2B)
Synonyms:
MDL No:
Molecular Formula: C11H13NO2
Molecular Weight: 191.2264

Identification/Properties


Computed Properties
Molecular Weight:
227.688g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
227.071g/mol
Monoisotopic Mass:
227.071g/mol
Topological Polar Surface Area:
49.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
217
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:
2
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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