methyl isoquinoline-6-carboxylate


Chemical Name: methyl isoquinoline-6-carboxylate
CAS Number: 173089-82-2
Product Number: AG001YLO(AGN-PC-00ORLP)
Synonyms:
MDL No: MFCD11226961
Molecular Formula: C11H9NO2
Molecular Weight: 187.1947

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
187.198g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
187.063g/mol
Monoisotopic Mass:
187.063g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
217
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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