6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester


Chemical Name: 6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester
CAS Number: 177478-49-8
Product Number: AG0025CR(AGN-PC-0156BG)
Synonyms:
MDL No: MFCD08692534
Molecular Formula: C11H13NO2
Molecular Weight: 191.2264

Identification/Properties


Properties
MP:
73-76°C
BP:
349.4°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
191.23g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
191.095g/mol
Monoisotopic Mass:
191.095g/mol
Topological Polar Surface Area:
38.3A^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#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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